SCHEMBL6896285

SCHEMBL6896285

C[C@](Cc1c[nH]c2ccccc12)(C(=O)N[C@H](CO)Cc1ccccc1)N(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL6896286 1.00 ACE (0.41) ACETACR1
SCHEMBL8829874 1.00 ACE (0.41) ACETACR1
SCHEMBL6895208 0.83 CCKBR (0.53)
SCHEMBL9309283 0.82 TACR1 (0.38) ACETACR1
SCHEMBL27312036 0.79 TACR1 (0.57) TACR1
SCHEMBL8903230 0.79 TACR1 (0.57) TACR1
SCHEMBL8829824 0.79 TACR1 (0.57) TACR1
SCHEMBL19022496 0.79 ECE1 (0.46) TACR1
SCHEMBL19022497 0.79 ECE1 (0.46) TACR1
SCHEMBL6897076 0.77 CCKBR (0.51)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405537-B1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER LAMBERT CO (US) 2004-09-08 EP disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 EP disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 WO disclosed