SCHEMBL7319576

SCHEMBL7319576

NC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](CC1CCCCC1)[C@@H](O)c1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.40
▸ METAP2 P50579 5/20 0.38
▸ METAP1 P53582 2/20 0.38
▸ ACP3 P15309 1/20 0.31
▸ HTR2A P28223 6/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NLN Q9BYT8 2/20 0.31

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 SCHEMBL7354434 0.99 REN (0.39) RENMETAP2METAP1ACP3HTR2A
SCHEMBL7322473 0.89 REN (0.37) REN
SCHEMBL7318657 0.88 METAP2 (0.40) RENMETAP2METAP1HTR2ACYP3A4
SCHEMBL7318663 0.88 METAP2 (0.40) RENMETAP2METAP1HTR2ACYP3A4
Hydrochloric Acid SCHEMBL7354438 0.87 METAP2 (0.40) RENMETAP2METAP1HTR2ACYP3A4
SCHEMBL9641474 0.84 OPRM1 (0.36) RENOPRM1
SCHEMBL7385303 0.80 REN (0.47) REN
SCHEMBL7326621 0.80 REN (0.42) RENMEN1KMT2A
Hydrochloric Acid SCHEMBL7323642 0.79 REN (0.42) RENMEN1KMT2A
SCHEMBL7369317 0.79 REN (0.52) REN

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-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 — — EP claimed
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 — — EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 — — EP disclosed
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