SCHEMBL7673246

SCHEMBL7673246

COc1ccccc1CCC(=O)NCC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 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
MAPT P10636 6/20 0.50
P2RY14 Q15391 1/20 0.50
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7087007 1.00 TACR1 (0.58) TACR1MEN1KMT2APOLBHTT
SCHEMBL7699882 0.92 TACR1 (0.55) TACR1MEN1KMT2APOLBHTT
SCHEMBL7668974 0.92 TACR1 (0.53) TACR1MEN1KMT2APOLBHTT
SCHEMBL7089245 0.92 TACR1 (0.68) TACR1MEN1KMT2APOLBHTT
SCHEMBL7653308 0.91 TACR1 (0.58) TACR1MEN1KMT2APOLBHTT
SCHEMBL7087794 0.91 TACR1 (0.62) TACR1MEN1KMT2APOLBHTT
SCHEMBL7088811 0.91 TACR1 (0.56) TACR1MEN1KMT2APOLBHTT
SCHEMBL7088838 0.91 MEN1 (0.61) TACR1MEN1KMT2APOLBHTT
SCHEMBL7090456 0.90 TACR1 (0.61) TACR1MEN1KMT2APOLBHTT
SCHEMBL7091686 0.90 TACR1 (0.69) TACR1MEN1KMT2APOLBHTT

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
US-6339094-B1 FOR THERAPY OF CONDITION ASSOCIATED WITH AN EXCESS OF TACHYKININS SUCH AS MIGRANE HEADACHES ELI LILLY AND COMPANY 2002-01-15 US disclosed
EP-1003723-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2000-11-02 EP disclosed
EP-1003723-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-05-31 EP disclosed
WO-1999007681-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed