SCHEMBL10372269

SCHEMBL10372269

CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)CC2C#N

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.56
▸ CNR1 P21554 12/20 0.56
▸ GLRA1 P23415 1/20 0.55
▸ DRD3 P35462 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54

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
SCHEMBL10482563 0.86 CNR2 (0.54) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10482847 0.84 CNR2 (0.57) CNR2CNR1GLRA1NR1I2ADORA3
SCHEMBL10482800 0.81 CNR2 (0.56) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10365457 0.81 CNR2 (0.58) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10482673 0.81 CNR2 (0.56) CNR2CNR1GLRA1DRD3
SCHEMBL10482728 0.80 CNR1 (0.56) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10482622 0.80 CNR2 (0.58) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL10365094 0.80 CNR2 (0.54) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10482651 0.80 CNR2 (0.55) CNR2CNR1GLRA1DRD3NR1I2
SCHEMBL10365262 0.80 CNR2 (0.52) CNR2CNR1GLRA1

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-0089781-B1 BICYCLIC BENZO FUSED COMPOUNDS PFIZER INC. (US) 1990-08-08 — — EP disclosed
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 — — US disclosed
US-4863934-A Bicyclic benzo fused pyran compounds used for producing analgesia PFIZER INC. (US) 1989-09-05 — — US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 — — US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 — — US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 — — US disclosed
EP-0089781-A2 Bicyclic benzo fused compounds PFIZER INC. (US) 1983-09-28 — — EP disclosed
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