SCHEMBL7338448

SCHEMBL7338448

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.37
AVPR1A P37288 3/20 0.37
AVPR1B P47901 3/20 0.37
KMT2A Q03164 2/20 0.36
DRD2 P14416 4/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
BRPF1 P55201 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL7340542 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BKMT2ADRD2
SCHEMBL7336926 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BKMT2ADRD2
SCHEMBL7339138 0.95 AVPR2 (0.43) AVPR2AVPR1AAVPR1BKMT2ADRD2
SCHEMBL7337083 0.94 AVPR2 (0.43) AVPR2AVPR1AAVPR1BDRD2BCHE
SCHEMBL7342198 0.93 RXFP1 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7343339 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7338552 0.93 AVPR2 (0.36) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7778595 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7339388 0.90 AVPR2 (0.42) AVPR2AVPR1AAVPR1BDRD2SIGMAR1
SCHEMBL7337787 0.89 ALDH1A1 (0.41) KMT2AMEN1

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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed