SCHEMBL6203570

SCHEMBL6203570

COC1C[C@@H](C(=O)N(C)Cc2ccccn2)N(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2Cl)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.52
OXTR P30559 7/20 0.52
EPHX2 P34913 2/20 0.39
UCHL1 P09936 1/20 0.37
P2RX7 Q99572 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 1/20 0.35
BUB1 O43683 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6199880 1.00 AVPR2 (0.52) AVPR2OXTREPHX2UCHL1P2RX7
SCHEMBL6203853 0.82 AVPR2 (0.50) AVPR2OXTREPHX2P2RX7CYP2C9
SCHEMBL6202207 0.82 AVPR2 (0.48) AVPR2OXTREPHX2P2RX7CYP2C9
SCHEMBL6202917 0.82 AVPR2 (0.48) AVPR2OXTREPHX2P2RX7CYP2C9
SCHEMBL6221670 0.81 AVPR2 (0.79) AVPR2OXTR
SCHEMBL5430909 0.81 AVPR2 (0.79) AVPR2OXTR
SCHEMBL4198269 0.69 AVPR2 (0.85) AVPR2OXTR
SCHEMBL4192208 0.67 AVPR2 (0.64) AVPR2OXTR
SCHEMBL4198538 0.65 AVPR2 (0.81) AVPR2OXTR
SCHEMBL6202921 0.63 EPHX2 (0.37) EPHX2P2RX7CYP2C9CYP2J2ALDH1A1

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-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed