SCHEMBL8100170

SCHEMBL8100170

CCCCCC(c1ccc(N)cc1)c1ccc(C2(c3ccc(C(CCCCC)c4ccc(N)cc4)cc3)CCC(CCC)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFE2L2 Q16236 1/20 0.33
GRM2 Q14416 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL8102372 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8102238 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8087535 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8085491 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8095800 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8093381 0.99 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8096645 0.96 ALDH1A1 (0.36) CYP19A1ALDH1A1L3MBTL1NFE2L2
SCHEMBL8095204 0.95 CYP19A1 (0.38) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8095282 0.95 CYP19A1 (0.38) CYP19A1ALDH1A1L3MBTL1NFE2L2GRM2
SCHEMBL8086991 0.94 CYP19A1 (0.39) CYP19A1ALDH1A1L3MBTL1GRM2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5807961-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element using the formers CHISSO CORPORATION (JP) 1998-09-15 US disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed