SCHEMBL7342198

SCHEMBL7342198

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 3/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
AVPR2 P30518 2/20 0.35
AVPR1A P37288 2/20 0.35
AVPR1B P47901 2/20 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
SCHEMBL7343339 0.95 AVPR2 (0.39) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7340542 0.93 AVPR2 (0.37) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7338552 0.93 AVPR2 (0.36) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7338448 0.93 AVPR2 (0.37) SIGMAR1DRD2AVPR2AVPR1AAVPR1B
SCHEMBL7778595 0.93 AVPR2 (0.42) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7339138 0.93 AVPR2 (0.43) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7336926 0.93 AVPR2 (0.37) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7339388 0.92 AVPR2 (0.42) RXFP1SIGMAR1DRD2AVPR2AVPR1A
SCHEMBL7337083 0.92 AVPR2 (0.43) SIGMAR1DRD2SUV39H2AVPR2AVPR1A
SCHEMBL7337787 0.90 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed