SCHEMBL10367259

SCHEMBL10367259

CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.47
▸ CNR1 P21554 11/20 0.47
▸ TLR3 O15455 1/20 0.45
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KCNE1 P15382 2/20 0.36
▸ KCNQ1 P51787 2/20 0.36

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
SCHEMBL10366312 0.87 CNR2 (0.50) CNR2CNR1
SCHEMBL10366302 0.86 CNR2 (0.52) CNR2CNR1
SCHEMBL10367369 0.86 CNR2 (0.49) CNR2CNR1
SCHEMBL10366171 0.81 TLR3 (0.51) TLR3NPC1ALDH1A1MAPTRAB9A
SCHEMBL10482814 0.81 CNR2 (0.56) CNR2CNR1TLR3
SCHEMBL10366314 0.80 CNR2 (0.50) CNR2CNR1
SCHEMBL10365262 0.77 CNR2 (0.52) CNR2CNR1
SCHEMBL10365874 0.72 CYP19A1 (0.38) TLR3MAPT
SCHEMBL10365477 0.72 CNR2 (0.62) CNR2CNR1
SCHEMBL10372483 0.70 CNR2 (0.56) CNR2CNR1

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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