SCHEMBL7345334

SCHEMBL7345334

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCOCC2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL7336265 0.93 AVPR2 (0.42) SMN1; SMN2GAALMNA
SCHEMBL7339957 0.92 AVPR2 (0.40) SMN1; SMN2GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7345642 0.92 AVPR2 (0.42) SMN1; SMN2GAALMNA
SCHEMBL7778635 0.92 AVPR2 (0.40) SMN1; SMN2GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7773784 0.92 AVPR2 (0.42) SMN1; SMN2GAALMNA
SCHEMBL7773828 0.92 AVPR2 (0.40) SMN1; SMN2HPGDGAAKMT2AALDH1A1
SCHEMBL7345290 0.92 BRPF1 (0.38) SMN1; SMN2GAALMNA
Hydrochloric Acid SCHEMBL7346737 0.92 AVPR2 (0.39) SMN1; SMN2GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7345860 0.92 AVPR2 (0.39) SMN1; SMN2GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7336802 0.92 AVPR2 (0.39) SMN1; SMN2HPGDGAAKMT2AALDH1A1

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