SCHEMBL7336166

SCHEMBL7336166

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCCN

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.42
AVPR1A P37288 5/20 0.42
AVPR1B P47901 4/20 0.42
CCR8 P51685 1/20 0.38
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAP3K7 O43318 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HSP90AA1 P07900 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 SCHEMBL7335182 0.99 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
SCHEMBL7336265 0.99 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7345642 0.98 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7773784 0.98 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
SCHEMBL7340231 0.96 AVPR2 (0.45) AVPR2AVPR1AAVPR1BBRPF1BRD4
Sulfuric Acid SCHEMBL7344173 0.96 AVPR2 (0.41) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7348666 0.95 AVPR2 (0.44) AVPR2AVPR1AAVPR1BBRPF1BRD4
Cadaverine Tartrate SCHEMBL7347950 0.94 AVPR2 (0.41) AVPR2AVPR1AAVPR1BBRPF1BRD4
SCHEMBL7345366 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7338927 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ADRA1D

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