SCHEMBL8087617

SCHEMBL8087617

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.39
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM2 Q14416 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL8099451 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8095876 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8095726 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8771548 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8086027 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8094301 1.00 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8095204 0.99 CYP19A1 (0.38) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8099768 0.98 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8095609 0.98 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2
SCHEMBL8087419 0.98 CYP19A1 (0.39) CYP19A1CYP1A2ALDH1A1L3MBTL1GRM2

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