SCHEMBL8894055

SCHEMBL8894055

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccc4ccccc4c3)CC21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.46
OPRK1 P41145 1/20 0.45
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.38
GPR183 P32249 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL8894771 0.88 FNTA (0.46) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8895417 0.87 FNTA (0.46) TACR1OPRK1FNTAFNTBMEN1
SCHEMBL9142783 0.86 FNTA (0.60) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8894528 0.85 ALDH1A1 (0.46) TACR1OPRK1FNTAFNTBMEN1
SCHEMBL8895688 0.84 FNTA (0.51) TACR1OPRK1FNTAFNTBMEN1
SCHEMBL8783447 0.83 FNTA (0.53) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8788673 0.82 FNTA (0.52) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL9139914 0.82 FNTA (0.52) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8894203 0.81 TACR1 (0.51) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8894524 0.81 TACR1 (0.51) TACR1FNTAFNTBMEN1KMT2A

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