SCHEMBL9786406

SCHEMBL9786406

CCC#CC[C@@H](C)C(=O)/C(Br)=C/[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1OC(=O)c1ccccc1)OCCO3

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.33
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ HTR3E A5X5Y0 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ HTR3D Q70Z44 1/20 0.30
▸ HTR3C Q8WXA8 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL9786417 1.00 BCHE (0.33) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9731526 1.00 BCHE (0.33) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9731529 1.00 BCHE (0.33) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9786420 1.00 BCHE (0.33) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9786407 1.00 BCHE (0.33) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9732299 0.94 BCHE (0.32) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL9732305 0.94 BCHE (0.32) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL16077036 0.93 BCHE (0.31) BCHE
SCHEMBL9731561 0.84 ABCB1 (0.31) —
SCHEMBL9731567 0.84 ABCB1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013758-A Novel carbacyclins, processes for their preparation and their use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-07 — — US disclosed
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