SCHEMBL7742410

SCHEMBL7742410

COc1ccc(CNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N3CCCCC3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
TACR1 P25103 9/20 0.52
MAPT P10636 2/20 0.46
NMBR P28336 1/20 0.46
GRPR P30550 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CCKBR P32239 1/20 0.46
USP2 O75604 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL7742501 0.86 TACR1 (0.46) KMT2ATACR1NMBRALDH1A1CCKBR
SCHEMBL7743569 0.85 TACR1 (0.49) TACR1NMBRCCKBR
SCHEMBL7743583 0.83 TACR1 (0.60) KMT2ATACR1MAPTLMNA
SCHEMBL7743655 0.82 TACR1 (0.46) KMT2ATACR1NMBRALDH1A1CCKBR
SCHEMBL7743627 0.79 TACR1 (0.51) KMT2ATACR1NMBRALDH1A1CCKBR
SCHEMBL7745638 0.79 TACR1 (0.50) KMT2ATACR1NMBRALDH1A1CCKBR
SCHEMBL7745672 0.78 TACR1 (0.55) KMT2ATACR1CCKBR
SCHEMBL7743615 0.78 TACR1 (0.60) KMT2ATACR1MAPTLMNA
SCHEMBL7742399 0.78 TACR1 (0.62) KMT2ATACR1
SCHEMBL7742400 0.78 TACR1 (0.52) KMT2ATACR1GABRPGABRDGABRA1

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 4 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
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO claimed