SCHEMBL7087794

SCHEMBL7087794

COc1ccccc1CCC(=O)NC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.62
P2RY14 Q15391 1/20 0.54
MAPT P10636 4/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49

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 0.96 TACR1 (0.68) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7091686 0.94 TACR1 (0.69) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7090456 0.94 TACR1 (0.61) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7090865 0.94 TACR1 (0.59) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7084238 0.93 TACR1 (0.63) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7082671 0.93 TACR1 (0.60) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7653308 0.93 TACR1 (0.58) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7088984 0.93 TACR1 (0.66) TACR1MAPTMEN1POLBKMT2A
SCHEMBL7088635 0.93 TACR1 (0.61) TACR1P2RY14MAPTMEN1POLB
SCHEMBL7088170 0.93 TACR1 (0.69) TACR1P2RY14MAPTMEN1POLB

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