SCHEMBL14515330

SCHEMBL14515330

COCCn1c(=O)n(C2CCN(C(=O)C3CCN(C(C)c4ccnc(N)c4)CC3)CC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.61
▸ CYP2D6 P10635 5/20 0.52

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
SCHEMBL14515331 0.91 CYP3A4 (0.58) CYP3A4
SCHEMBL12204978 0.90 CYP3A4 (0.57) CYP3A4CYP2D6
SCHEMBL14515348 0.90 CYP3A4 (0.55) CYP3A4CYP2D6
SCHEMBL14515232 0.89 CYP3A4 (0.73) CYP3A4CYP2D6
SCHEMBL14515346 0.88 CYP3A4 (0.74) CYP3A4CYP2D6
SCHEMBL14515299 0.85 CYP3A4 (0.79) CYP3A4CYP2D6
SCHEMBL14515233 0.81 CYP3A4 (0.62) CYP3A4CYP2D6
SCHEMBL14515339 0.81 CYP3A4 (0.61) CYP3A4CYP2D6
SCHEMBL14515334 0.80 CYP3A4 (0.62) CYP3A4
SCHEMBL14515329 0.78 CYP3A4 (0.69) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — US disclosed
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