SCHEMBL7082671

SCHEMBL7082671

COc1ccccc1CCC(=O)NC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.60
MAPT P10636 6/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
P2RY14 Q15391 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7089245 0.94 TACR1 (0.68) TACR1MAPTTP53LMNATHRB
SCHEMBL7087794 0.93 TACR1 (0.62) TACR1MAPTTP53LMNATHRB
SCHEMBL7088838 0.93 MEN1 (0.61) TACR1MAPTTP53LMNATHRB
SCHEMBL7090456 0.93 TACR1 (0.61) TACR1MAPTTP53LMNATHRB
SCHEMBL7091686 0.93 TACR1 (0.69) TACR1MAPTTP53LMNATHRB
SCHEMBL7086414 0.92 TACR1 (0.56) TACR1MAPTTP53LMNATHRB
SCHEMBL7084238 0.92 TACR1 (0.63) TACR1MAPTTP53LMNATHRB
SCHEMBL7088811 0.91 TACR1 (0.56) TACR1MAPTTP53LMNATHRB
SCHEMBL7088635 0.91 TACR1 (0.61) TACR1MAPTTP53LMNATHRB
SCHEMBL7088170 0.91 TACR1 (0.69) TACR1MAPTTP53LMNATHRB

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-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 EP disclosed
WO-1999007677-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed