SCHEMBL5380872

SCHEMBL5380872

O=C(O)C1Cc2cccc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.50
MTNR1B P49286 10/20 0.50
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRL1 P41146 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL30066901 1.00 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1KDM4EOPRL1
SCHEMBL28249003 0.88 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1KDM4EOPRL1
SCHEMBL9240061 0.87 MTNR1A (0.51) MTNR1AMTNR1BKDM4EOPRL1OPRM1
SCHEMBL11146721 0.85 MTNR1A (0.47) MTNR1AMTNR1BKDM4EOPRL1OPRM1
SCHEMBL28599443 0.84 MTNR1A (0.49) MTNR1AMTNR1BKDM4EOPRL1OPRM1
SCHEMBL28138447 0.84 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1KDM4EOPRL1
SCHEMBL5370015 0.84 MTNR1A (0.56) MTNR1AMTNR1BKDM4EOPRL1OPRM1
Hydrochloric Acid SCHEMBL8440245 0.83 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1KDM4EOPRL1
SCHEMBL28007657 0.81 MTNR1A (0.47) MTNR1AMTNR1BKDM4EOPRL1OPRM1
SCHEMBL21847558 0.81 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4EOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121562-B Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2022-09-13 CN disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
CN-113121562-A Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2021-07-16 CN disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 CN disclosed
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 CN disclosed
CN-108884106-A POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE 詹森药业有限公司 2018-11-23 CN disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
EP-0256456-B1 PIGMENT COMPOSITION DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1993-03-10 EP disclosed
EP-0256454-B1 PIGMENT COMPOSITION DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1993-03-03 EP disclosed
US-5019588-A Nonhabit-forming analgeiscs WARNER-LAMBERT COMPANY (US) 1991-05-28 US disclosed
EP-0380063-A1 1,2-cyclohexylaminoaryl amides useful as analgesic agents WARNER-LAMBERT COMPANY (US) 1990-08-01 EP disclosed
US-4906655-A Novel 1,2-cyclohexylaminoaryl amides useful as analgesic agents WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
US-4767465-A POLYESTER DISPERSANT DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1988-08-30 US disclosed
US-4762568-A PHOSPHORIC ESTER OF A POLYESTER AS DISPERSANT DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1988-08-09 US disclosed
EP-0256454-A2 Pigment composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1988-02-24 EP disclosed
EP-0256456-A2 Pigment composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1988-02-24 EP disclosed
US-4226790-A ALKANOATE SALTS, WITH PEROXY CARBOXYLIC ACID, MANGANESE SALT THE UPJOHN COMPANY (US) 1980-10-07 US disclosed