SCHEMBL7339652

SCHEMBL7339652

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.42
AVPR1A P37288 3/20 0.42
AVPR1B P47901 3/20 0.42
MGLL Q99685 1/20 0.38
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
CCR8 P51685 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL7339114 0.94 AVPR2 (0.42) AVPR2AVPR1AAVPR1BLMNAALDH1A1
SCHEMBL7342434 0.90 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8LMNA
SCHEMBL7778279 0.90 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7336979 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCCR8LMNA
SCHEMBL7366871 0.89 CCR8 (0.44) AVPR2AVPR1AAVPR1BCCR8ALDH1A1
SCHEMBL7343158 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL7345237 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAKMT2A
SCHEMBL7338630 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BCCR8LMNA
Hydrochloric Acid SCHEMBL7780759 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL7343093 0.86 POLB (0.39) AVPR2AVPR1AAVPR1BLMNAALDH1A1

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 4 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
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