SCHEMBL7340239

SCHEMBL7340239

Cc1ccc(N(C)C(=O)c2ccc(C(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)c(OC(C)C)c2N)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 4/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
WDR5 P61964 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7345518 0.92 SIGMAR1 (0.38) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7340053 0.92 SIGMAR1 (0.39) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7778599 0.91 SIGMAR1 (0.37) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7344279 0.91 SIGMAR1 (0.37) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7338860 0.91 SIGMAR1 (0.37) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7337033 0.91 SIGMAR1 (0.39) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7345591 0.91 SIGMAR1 (0.36) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7343594 0.90 SIGMAR1 (0.36) SIGMAR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7342217 0.89 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AUSP2TP53
SCHEMBL7343781 0.87 SIGMAR1 (0.35) SIGMAR1MEN1KMT2AUSP2TP53

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