SCHEMBL7318663

SCHEMBL7318663

N[C@@H](Cc1c[nH]cn1)C(=O)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
▸ METAP2 P50579 5/20 0.40
▸ METAP1 P53582 2/20 0.40
▸ REN P00797 2/20 0.40
▸ NLN Q9BYT8 2/20 0.35
▸ HTR2A P28223 5/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 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
▸ EPHX1 P07099 1/20 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
SCHEMBL7318657 1.00 METAP2 (0.40) METAP2METAP1RENNLNHTR2A
Hydrochloric Acid SCHEMBL7354438 0.99 METAP2 (0.40) METAP2METAP1RENNLNHTR2A
SCHEMBL7322478 0.89 REN (0.36) REN
SCHEMBL7322468 0.89 REN (0.36) REN
SCHEMBL7319576 0.88 REN (0.40) METAP2METAP1RENNLNHTR2A
Hydrochloric Acid SCHEMBL7354434 0.87 REN (0.39) METAP2METAP1RENNLNHTR2A
SCHEMBL7326619 0.80 REN (0.42) RENKMT2A
SCHEMBL6013384 0.79 REN (0.43) METAP2METAP1REN
SCHEMBL7369317 0.79 REN (0.52) REN
SCHEMBL7323151 0.78 REN (0.42) 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 2 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
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