SCHEMBL14515307

SCHEMBL14515307

Nc1cc(CN2CCC(C(=O)N3CCC(n4c(=O)n(Cc5ccccc5)c5cc(F)ccc54)CC3)CC2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.82
▸ CYP2D6 P10635 2/20 0.67

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
SCHEMBL12205073 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL8231386 0.90 CYP3A4 (0.82) CYP3A4CYP2D6
SCHEMBL14515358 0.89 CYP3A4 (0.81) CYP3A4CYP2D6
SCHEMBL14515357 0.88 CYP3A4 (1.00) CYP3A4
SCHEMBL14515356 0.88 CYP3A4 (0.93) CYP3A4
SCHEMBL8223693 0.88 CYP3A4 (0.63) CYP3A4CYP2D6
SCHEMBL14515305 0.87 CYP3A4 (0.78) CYP3A4
SCHEMBL8420533 0.87 CYP3A4 (0.83) CYP3A4CYP2D6
SCHEMBL14515355 0.87 CYP3A4 (0.80) CYP3A4CYP2D6
SCHEMBL8230668 0.87 CYP3A4 (1.00) CYP3A4

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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