SCHEMBL8894524

SCHEMBL8894524

COc1ccccc1[C@@]1(O)[C@H](O)CC(c2ccccc2)(c2ccccc2)[C@@H]2CN(C(=O)Cc3ccccc3N(C)C)C[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.51
FNTA P49354 6/20 0.51
FNTB P49356 6/20 0.51
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2B Q13224 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8894203 1.00 TACR1 (0.51) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL9142783 0.91 FNTA (0.60) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8783447 0.89 FNTA (0.53) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8895417 0.87 FNTA (0.46) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8895688 0.86 FNTA (0.51) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8956789 0.86 TACR1 (0.61) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL9139914 0.85 FNTA (0.52) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8788673 0.85 FNTA (0.52) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8893745 0.85 FNTA (0.49) TACR1FNTAFNTBKMT2AMEN1
SCHEMBL8956879 0.84 FNTA (0.58) TACR1FNTAFNTBKMT2AMEN1

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