SCHEMBL8894433

SCHEMBL8894433

COc1ccccc1[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)[C@@](O)(c1ccccc1OC)[C@H](O)CC2(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.73
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
GRIN2B Q13224 2/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRL1 P41146 3/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPY1R P25929 1/20 0.33

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
SCHEMBL9141321 1.00 TACR1 (0.73) TACR1FNTAFNTBGRIN2BOPRM1
SCHEMBL8548123 1.00 TACR1 (0.73) TACR1FNTAFNTBGRIN2BOPRM1
SCHEMBL8956796 0.93 TACR1 (0.68) TACR1FNTAFNTBGRIN2BOPRM1
SCHEMBL8460147 0.87 TACR1 (0.60) TACR1GRIN2BOPRM1OPRD1OPRK1
Dapitant SCHEMBL6437147 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1
Dapitant SCHEMBL8543936 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1
Dapitant SCHEMBL7582571 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1
Dapitant SCHEMBL7768046 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1
Dapitant SCHEMBL121135 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1
Dapitant SCHEMBL13575759 0.84 TACR1 (1.00) TACR1FNTAFNTBGRIN2BOPRM1

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-5631279-A ANTAGONISTS OF NEUROKININ A RHONE-POULENC RORER, S.A. (FR) 1997-05-20 US disclosed