SCHEMBL7335754

SCHEMBL7335754

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
WDR5 P61964 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DRD2 P14416 1/20 0.37
RECQL P46063 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7339388 0.93 AVPR2 (0.42) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7336994 0.92 SIGMAR1 (0.40) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7343339 0.91 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AWDR5DRD2
SCHEMBL7340232 0.91 AVPR2 (0.38) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7345510 0.91 AVPR2 (0.40) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7339422 0.90 AVPR2 (0.41) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7346725 0.89 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7338852 0.89 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7344270 0.89 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AWDR5RXFP1
SCHEMBL7778595 0.89 AVPR2 (0.42) SIGMAR1AVPR2AVPR1ADRD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
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
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