SCHEMBL5505041

SCHEMBL5505041

O=C(NCc1cccc(Cl)c1)C1C2CN(C3CCOCC3)CC21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
P2RX7 Q99572 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
F2 P00734 4/20 0.45
KMT2A Q03164 1/20 0.44
ACKR3 P25106 1/20 0.43
MAPK1 P28482 2/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
MC4R P32245 1/20 0.42

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
SCHEMBL3777509 0.87 P2RX7 (0.52) POLBP2RX7RXFP1F2KMT2A
SCHEMBL3770109 0.83 RXFP1 (0.55) POLBP2RX7RXFP1F2KMT2A
SCHEMBL713074 0.81 P2RX7 (0.57) POLBP2RX7RXFP1F2KMT2A
SCHEMBL708523 0.79 POLB (0.44) POLBP2RX7RXFP1F2KMT2A
SCHEMBL711146 0.79 P2RX7 (0.53) P2RX7
SCHEMBL5505044 0.79 CXCR4 (0.43) POLBP2RX7PDE1APDE1BPDE1C
SCHEMBL3770854 0.79 MC4R (0.61) POLBP2RX7RXFP1F2KMT2A
SCHEMBL710943 0.79 P2RX7 (0.53) POLBP2RX7RXFP1F2KMT2A
SCHEMBL3777749 0.77 MC4R (0.56) POLBP2RX7RXFP1F2KMT2A
SCHEMBL3771851 0.74 MCHR1 (0.48) POLBP2RX7MAPK1

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 4 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-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO 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