SCHEMBL7339138

SCHEMBL7339138

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.43
AVPR1A P37288 4/20 0.43
AVPR1B P47901 4/20 0.43
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
PTK6 Q13882 1/20 0.37
DRD2 P14416 4/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMO Q99835 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL7337083 0.95 AVPR2 (0.43) AVPR2AVPR1AAVPR1BABL1FYN
SCHEMBL7340542 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2BCHE
SCHEMBL7338448 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2BCHE
SCHEMBL7336926 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2BCHE
SCHEMBL7337499 0.94 AVPR2 (0.40) AVPR2AVPR1AAVPR1BSIGMAR1SUV39H2
SCHEMBL7340438 0.93 ABL1 (0.38) AVPR2AVPR1AAVPR1BABL1FYN
SCHEMBL7342198 0.93 RXFP1 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7343339 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7338552 0.92 AVPR2 (0.36) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7348689 0.92 AVPR2 (0.45) AVPR2AVPR1AAVPR1BDRD2BCHE

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed