SCHEMBL7974951

SCHEMBL7974951

C[C@H](c1ccccc1)N1CCC2(c3ccc(OCc4ccccc4)cc3)O[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.46
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ FDFT1 P37268 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL6623585 1.00 CHRM4 (0.46) CHRM4MMP2MMP9ADAM17OPRM1
SCHEMBL8261399 0.80 CHRM4 (0.47) CHRM4MMP2MMP9ADAM17OPRM1
SCHEMBL4602613 0.79 OPRL1 (0.67) CHRM4OPRM1OPRD1OPRK1OPRL1
SCHEMBL4602609 0.79 OPRL1 (0.67) CHRM4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2295519 0.74 CHRM4 (0.47) CHRM4HRH3BCHEALOX5FDFT1
SCHEMBL2295867 0.74 CHRM4 (0.47) CHRM4HRH3BCHEALOX5FDFT1
SCHEMBL2297996 0.74 CHRM4 (0.47) CHRM4HRH3BCHEALOX5FDFT1
SCHEMBL2295049 0.74 CHRM4 (0.47) CHRM4HRH3BCHEALOX5FDFT1
SCHEMBL4602232 0.72 CHRM4 (0.54) CHRM4HRH3ALOX5FDFT1MAPK1
SCHEMBL4601018 0.72 CHRM4 (0.54) CHRM4HRH3ALOX5FDFT1MAPK1

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-6268499-B1 USEFUL AS RENIN INHIBITORS HOFFMAN-LA ROCHE INC. 2001-07-31 — — US disclosed
Send feedback