SCHEMBL11381891

SCHEMBL11381891

CC1(C)Oc2cc(CCc3ccccc3)cc(O)c2C2=CC(=O)CCC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.37
▸ CNR2 P34972 11/20 0.37
▸ TRPA1 O75762 3/20 0.36
▸ TRPV1 Q8NER1 3/20 0.36
▸ TRPV3 Q8NET8 3/20 0.36
▸ TRPV4 Q9HBA0 3/20 0.36
▸ TRPV2 Q9Y5S1 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ TRPV5 Q9NQA5 1/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL11384600 0.86 KDR (0.32) RIPK1
SCHEMBL31545431 0.85 CNR2 (0.51) CNR1CNR2TRPA1TRPV1TRPV3
SCHEMBL11374129 0.84 KDR (0.35) —
SCHEMBL11575956 0.82 OPRM1 (0.34) CNR1CNR2TRPA1TRPV1TRPV3
SCHEMBL11491168 0.82 RIPK1 (0.36) CYP19A1CYP1A2RIPK1
SCHEMBL11375232 0.82 RIPK1 (0.31) CNR2RIPK1
SCHEMBL11380256 0.75 KDR (0.34) CNR2RIPK1
SCHEMBL11478506 0.73 MAOB (0.34) CYP19A1
SCHEMBL11381814 0.72 ALDH1A1 (0.60) MEN1KMT2ARIPK1
SCHEMBL11372707 0.67 CNR2 (0.42) CNR1CNR2TRPA1TRPV1TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243674-A HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS PFIZER INC. (US) 1981-01-06 — — US disclosed
US-4143139-A ANALGESICS, HYPOTENSIVES, IMMUNOSUPPRESSANTS, TRANQUILIZERS, ANTISECRETORY, ANTI-ANXIETY PFIZER INC. (US) 1979-03-06 — — US disclosed
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