SCHEMBL708524

SCHEMBL708524

OC1(CN2CC3C(CNCc4cccc(Cl)c4)C3C2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.42
CHRM2 P08172 1/20 0.37
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
OPRM1 P35372 2/20 0.35
CYP2D6 P10635 1/20 0.35
METAP2 P50579 1/20 0.35
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A9 P48067 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
SCHEMBL711118 0.89 CXCR4 (0.43) CXCR4CHRM2CARM1PRMT6METAP2
SCHEMBL5517968 0.84 CXCR4 (0.43) CXCR4CHRM2KCNH2CARM1PRMT6
SCHEMBL5518343 0.82 CARM1 (0.42) KCNH2CARM1PRMT6SLC6A9
SCHEMBL708523 0.82 POLB (0.44) MCHR1METAP2
SCHEMBL713075 0.77 CXCR4 (0.50) CXCR4CHRM2MCHR1CARM1PRMT6
SCHEMBL5505044 0.77 CXCR4 (0.43) CXCR4CHRM2CARM1PRMT6
SCHEMBL710944 0.75 CARM1 (0.50) CXCR4CHRM2MCHR1CARM1PRMT6
SCHEMBL3770856 0.75 CXCR4 (0.51) CXCR4CHRM2MCHR1CARM1PRMT6
SCHEMBL5512689 0.75 DPP7 (0.43) KCNH2CARM1PRMT6LMNA
SCHEMBL3770111 0.75 CXCR4 (0.49) CXCR4CHRM2MCHR1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed