SCHEMBL7743191

SCHEMBL7743191

COc1cc(CN(C)C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(C3CCCCC3)CC2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.62
NMBR P28336 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRS3 P32247 1/20 0.46

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
SCHEMBL7743210 0.94 TACR1 (0.62) TACR1BRS3
SCHEMBL7743232 0.93 TACR1 (0.62) TACR1NMBRKMT2A
SCHEMBL7743092 0.92 TACR1 (0.64) TACR1
SCHEMBL7742463 0.91 TACR1 (0.72) TACR1
SCHEMBL7743651 0.90 TACR1 (0.55) TACR1NMBRMEN1KMT2ASMN1; SMN2
SCHEMBL7742321 0.90 TACR1 (0.58) TACR1NMBRMEN1KMT2ASMN1; SMN2
SCHEMBL7743556 0.90 TACR1 (0.57) TACR1NMBRMEN1KMT2ASMN1; SMN2
SCHEMBL7743784 0.89 TACR1 (0.56) TACR1NMBRMEN1KMT2ASMN1; SMN2
SCHEMBL7745623 0.88 TACR1 (0.60) TACR1MEN1KMT2ASMN1; SMN2BRS3
SCHEMBL7743551 0.88 TACR1 (0.61) TACR1NMBRMEN1KMT2ASMN1; SMN2

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 12 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 claimed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP claimed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP claimed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
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 claimed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO claimed
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