SCHEMBL3376526

SCHEMBL3376526

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)C(=O)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL3377329 0.88 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3379864 0.88 HRH3 (0.39) HRH3CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3376019 0.87 HRH3 (0.42) HRH3CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3376806 0.84 HRH3 (0.43) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3374996 0.84 HRH3 (0.40) HRH3OPRK1MEN1KMT2APOLB
SCHEMBL3375023 0.84 HRH3 (0.40) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3376004 0.84 HRH3 (0.56) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3379308 0.83 HRH3 (0.39) HRH3KMT2APOLBKDM4EALDH1A1
SCHEMBL3377612 0.83 MCHR1 (0.46) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3377924 0.83 HRH3 (0.41) HRH3CYP3A4CYP2D6MEN1KMT2A

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed