SCHEMBL7778635

SCHEMBL7778635

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N)CC2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.40
AVPR1A P37288 4/20 0.40
AVPR1B P47901 4/20 0.40
CCR8 P51685 2/20 0.39
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
KCNMA1 Q12791 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL7346737 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7339957 0.95 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7773828 0.95 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCCR8TP53
Hydrochloric Acid SCHEMBL7345860 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BCCR8TP53
Hydrochloric Acid SCHEMBL7336802 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7338630 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BCCR8TP53
Hydrochloric Acid SCHEMBL7780840 0.94 AVPR2 (0.45) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7336265 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7345290 0.92 BRPF1 (0.38) AVPR2AVPR1AAVPR1BCCR8TP53
SCHEMBL7345334 0.92 SMN1; SMN2 (0.42) GAALMNASMN1; SMN2KMT2A

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 2 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