SCHEMBL7081275

SCHEMBL7081275

COc1ccccc1CCC(=O)NCC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.59
P2RY14 Q15391 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 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
SCHEMBL7089245 0.93 TACR1 (0.68) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7087794 0.92 TACR1 (0.62) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7081486 0.92 TACR1 (0.58) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7090456 0.91 TACR1 (0.61) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7091686 0.91 TACR1 (0.69) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7084238 0.91 TACR1 (0.63) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7082671 0.91 TACR1 (0.60) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7088011 0.90 TACR1 (0.58) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7088170 0.90 TACR1 (0.69) TACR1P2RY14MEN1KMT2APOLB
SCHEMBL7088635 0.90 TACR1 (0.61) TACR1P2RY14MEN1KMT2APOLB

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