SCHEMBL9729902

SCHEMBL9729902

COc1ccc(OC)c(CC(=O)N2CC3C(=O)CCC(c4ccccc4)(c4ccccc4)C3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
FNTA P49354 5/20 0.51
FNTB P49356 5/20 0.51
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9729430 0.90 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729596 0.90 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729331 0.84 TACR1 (0.68) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8873856 0.81 TACR1 (0.67) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729234 0.81 TACR1 (0.61) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9730230 0.80 TACR1 (0.65) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729456 0.80 TACR1 (0.59) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL4349316 0.79 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL7551020 0.79 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL29373792 0.79 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed