SCHEMBL7745597

SCHEMBL7745597

O=C(CN1CCC(N2CCCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.62
BRS3 P32247 2/20 0.59
ERAP2 Q6P179 1/20 0.56
CALCRL Q16602 1/20 0.56
ITGB2 P05107 3/20 0.55
ICAM1 P05362 3/20 0.55
ITGAL P20701 3/20 0.55
P2RY14 Q15391 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL7742348 0.93 TACR1 (0.61) TACR1BRS3ERAP2ITGB2ICAM1
SCHEMBL8816212 0.92 TACR1 (0.61) TACR1BRS3CALCRL
SCHEMBL7745643 0.86 TACR1 (0.59) TACR1BRS3CALCRL
SCHEMBL7743082 0.85 TACR1 (0.66) TACR1BRS3CALCRL
SCHEMBL7742356 0.85 TACR1 (0.58) TACR1BRS3CALCRL
SCHEMBL7737625 0.85 BRS3 (0.60) TACR1BRS3CALCRL
SCHEMBL7743791 0.85 TACR1 (0.62) TACR1BRS3CALCRL
SCHEMBL8813966 0.84 TACR1 (0.60) TACR1BRS3CALCRLTP53
SCHEMBL8748599 0.84 TACR1 (0.59) TACR1BRS3CALCRL
SCHEMBL7743112 0.84 TACR1 (0.59) TACR1BRS3CALCRL

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-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed