SCHEMBL708523

SCHEMBL708523

O=C(NCc1cccc(Cl)c1)C1C2CN(CC3(O)CCOCC3)CC21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 1/20 0.43
P2RX7 Q99572 1/20 0.42
METAP2 P50579 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F2 P00734 3/20 0.40
MC4R P32245 1/20 0.40
KMT2A Q03164 1/20 0.39
ACKR3 P25106 1/20 0.39
VHL P40337 1/20 0.39

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
SCHEMBL711117 0.90 CYP3A4 (0.46) POLBRXFP1MCHR1P2RX7METAP2
SCHEMBL5517965 0.85 MCHR1 (0.46) POLBRXFP1MCHR1P2RX7METAP2
SCHEMBL708524 0.82 CXCR4 (0.42) MCHR1METAP2
SCHEMBL713074 0.80 P2RX7 (0.57) POLBRXFP1MCHR1P2RX7F2
SCHEMBL5505041 0.79 POLB (0.52) POLBRXFP1P2RX7F2MC4R
SCHEMBL710943 0.78 P2RX7 (0.53) POLBRXFP1MCHR1P2RX7F2
SCHEMBL3770854 0.78 MC4R (0.61) POLBRXFP1MCHR1P2RX7F2
SCHEMBL3770109 0.77 RXFP1 (0.55) POLBRXFP1MCHR1P2RX7F2
SCHEMBL3777749 0.76 MC4R (0.56) POLBRXFP1MCHR1P2RX7F2
SCHEMBL710581 0.75 MCHR1 (0.48) POLBRXFP1MCHR1P2RX7F2

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