SCHEMBL7382986

SCHEMBL7382986

N#CC1(c2ccc3ccccc3c2)CCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.68
OPRL1 P41146 1/20 0.50
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 10/20 0.46
SLC6A2 P23975 8/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 2/20 0.42
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
IL4I1 Q96RQ9 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15863283 0.96 OPRM1 (0.68) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3519309 0.95 OPRM1 (0.66) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL10529109 0.93 OPRM1 (0.71) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL8906048 0.85 OPRM1 (0.62) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3521102 0.83 OPRM1 (0.61) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL8347348 0.83 OPRM1 (0.65) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3518560 0.82 OPRM1 (0.63) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3518561 0.82 OPRM1 (0.63) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL11047193 0.82 OPRM1 (0.59) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL13253932 0.82 OPRM1 (0.59) OPRM1OPRL1SLC6A4SLC6A3SLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
CN-1255136-A Substituted 4-arylmethylene-2-imino-2,3-dihydrothiazoles and derivatives and their pharmaceutical use KNOLL AG (DE) 2000-05-31 CN disclosed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP disclosed
EP-0715620-B1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE KNOLL AG (DE) 1998-10-28 EP disclosed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5652271-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed