SCHEMBL7742348

SCHEMBL7742348

O=C(CN1CCN(C2CCCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
BRS3 P32247 2/20 0.57
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57
ERAP2 Q6P179 1/20 0.56
P2RY14 Q15391 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
SCHEMBL7745597 0.93 TACR1 (0.62) TACR1TP53BRS3ITGB2ICAM1
SCHEMBL8813966 0.92 TACR1 (0.60) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745599 0.90 TACR1 (0.61) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745651 0.86 TACR1 (0.58) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7737704 0.85 TACR1 (0.58) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7743754 0.85 TACR1 (0.58) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7743551 0.85 TACR1 (0.61) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745566 0.85 BRS3 (0.58) TACR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL8816212 0.84 TACR1 (0.61) TACR1MEN1KMT2ASMN1; SMN2BRS3
SCHEMBL7743242 0.84 BRS3 (0.59) TACR1MEN1KMT2ASMN1; SMN2TP53

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 7 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
US-5773441-A PRODRUGS; ANIMAL HUSBANDRY ELI LILLY AND COMPANY (US) 1998-06-30 US 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