SCHEMBL7339160

SCHEMBL7339160

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)nc2)c(OCCCCCC(=O)N2CCC(N(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
AVPR1B P47901 2/20 0.37
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.33
PRKAA2 P54646 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
VNN1 O95497 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7339138 0.89 AVPR2 (0.43) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7337499 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BRXFP1SIGMAR1
Hydrochloric Acid SCHEMBL7375753 0.88 AVPR2 (0.39) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7340880 0.88 GCK (0.42) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7345595 0.87 RXFP1 (0.34) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7336955 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7337083 0.85 AVPR2 (0.43) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7335754 0.84 SIGMAR1 (0.40) AVPR2AVPR1AKDM4ERXFP1SIGMAR1
SCHEMBL7338448 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7340542 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2

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