SCHEMBL8359880

SCHEMBL8359880

COc1cc2ccc(=O)n(C)c2cc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 10/20 0.46
▸ BRD1 O95696 3/20 0.46
▸ BRPF3 Q9ULD4 2/20 0.46
▸ BRD9 Q9H8M2 3/20 0.43
▸ BRD4 O60885 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ S100B P04271 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL17576630 0.77 S100B (0.58) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL6603697 0.75 ALDH1A1 (0.47) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL30665881 0.74 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL17576626 0.74 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL16432414 0.74 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL9320188 0.70 BRPF1 (0.62) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL19231462 0.69 CA2 (0.55) BRPF1BRD9BRD4CA12CA9
SCHEMBL2761914 0.69 TAAR1 (0.56) GAATAAR1
SCHEMBL15345380 0.69 NQO1 (0.50) KDM4EALDH1A1HPGDTAAR1
SCHEMBL6074279 0.68 BRPF1 (0.59) BRPF1BRD1BRPF3BRD9BRD4

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
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 — — WO disclosed
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