SCHEMBL7336282

SCHEMBL7336282

COc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCCCCCC(=O)N3CCN(C)CC3)cc2OC)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.39
AVPR1A P37288 2/20 0.39
AVPR1B P47901 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
AHR P35869 1/20 0.39
MAP3K7 O43318 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APP P05067 2/20 0.36
HPGD P15428 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
Hydrochloric Acid SCHEMBL7345288 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
SCHEMBL7345034 0.96 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7MEN1
SCHEMBL7336940 0.94 LMNA (0.41) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7346689 0.94 LMNA (0.41) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
SCHEMBL7349148 0.93 MEN1 (0.44) AVPR2AVPR1AAVPR1BSMN1; SMN2MAP3K7
SCHEMBL7342022 0.92 LMNA (0.39) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
SCHEMBL7339127 0.92 AVPR2 (0.44) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7778650 0.91 LMNA (0.39) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7342655 0.91 AVPR2 (0.43) AVPR2AVPR1AAVPR1BSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7344511 0.91 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7MEN1

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