SCHEMBL7699882

SCHEMBL7699882

COc1ccccc1CCC(=O)NCC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.55
MAPT P10636 6/20 0.47
P2RY14 Q15391 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45

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 0.92 TACR1 (0.58) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7673246 0.92 TACR1 (0.58) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7089245 0.89 TACR1 (0.68) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7653308 0.88 TACR1 (0.58) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7087794 0.88 TACR1 (0.62) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7088811 0.88 TACR1 (0.56) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7668974 0.88 TACR1 (0.53) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7090456 0.88 TACR1 (0.61) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7091686 0.88 TACR1 (0.69) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7084238 0.87 TACR1 (0.63) TACR1MAPTP2RY14MEN1KMT2A

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 1 patent. 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