SCHEMBL1051602

SCHEMBL1051602

OCC1CCCCN1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.64
SPHK2 Q9NRA0 9/20 0.64
OPRD1 P41143 1/20 0.55
GBA1 P04062 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1257009 1.00 SPHK1 (0.64) SPHK1SPHK2OPRD1GBA1
SCHEMBL6342866 1.00 SPHK1 (0.64) SPHK1SPHK2OPRD1GBA1
SCHEMBL2169692 0.95 SPHK1 (0.69) SPHK1SPHK2
SCHEMBL4926619 0.95 SPHK1 (0.69) SPHK1SPHK2
SCHEMBL312540 0.95 SPHK1 (0.69) SPHK1SPHK2
Acetic Acid SCHEMBL7448428 0.93 OPRD1 (0.59) SPHK1SPHK2OPRD1
SCHEMBL19823120 0.91 SPHK1 (0.58) SPHK1SPHK2
Biphenyl SCHEMBL27478734 0.90 SPHK1 (0.64) SPHK1SPHK2
SCHEMBL7576557 0.88 GBA1 (0.59) SPHK1SPHK2GBA1
SCHEMBL17141385 0.88 GBA1 (0.59) SPHK1SPHK2GBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100063-B Preparation method for synthesizing 2-fluoromethyl substituted pyrrolidine, piperidine and piperazine derivatives 南京药石科技股份有限公司 2022-05-17 CN disclosed
EP-3970723-A1 AMINOINDANE COMPOUNDS FOR USE IN TREATING UROLOGICAL PAIN Asana BioSciences, LLC (US) 2022-03-23 EP disclosed
EP-3363437-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS SOLUTIONS (US) 2021-07-28 EP disclosed
EP-3363437-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS SOLUTIONS (US) 2021-07-28 EP disclosed
CN-107540599-B Aminoindane compounds and their use to treat pain 阿萨纳生物科技有限责任公司 2021-06-04 CN disclosed
CN-111100063-A Preparation method for synthesizing 2-fluoromethyl substituted pyrrolidine, piperidine and piperazine derivatives 南京药石科技股份有限公司 2020-05-05 CN disclosed
EP-3363437-A1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN Endo Pharmaceuticals Solutions Inc. (US) 2018-08-22 EP disclosed
EP-2675787-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-2675787-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
US-9375423-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2016-06-28 US disclosed
EP-0723537-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1996-07-31 EP disclosed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO disclosed
EP-0063365-B2 1,4-Dihydropyridine derivative and pharmaceutical composition containing same KYOWA HAKKO KOGYO KK (JP) 1994-06-15 EP disclosed
US-5169855-A PIPERIDINE ETHER DERIVATIVES AS PSYCHOTROPIC DRUGS OR PLANT FUNGICIDES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-12-08 US disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0449187-A2 Piperidin ether derivatives as psychotropic drugs or plant fungicides THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP disclosed
EP-0063365-B1 1,4-DIHYDROPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-09-04 EP disclosed
US-4448964-A HYPOTENSIVE AGENTS; VASODILATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-15 US disclosed
EP-0063365-A1 1,4-Dihydropyridine derivative and pharmaceutical composition containing same KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-10-27 EP disclosed