SCHEMBL9028652

SCHEMBL9028652

CS(=O)(=O)OCC[C@]1(c2cccc(Cl)c2)CCCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CNR1 P21554 2/20 0.40
TACR1 P25103 7/20 0.40
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 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
SCHEMBL9027567 0.98 MEN1 (0.43) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL8884615 0.95 TACR1 (0.45) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL9026960 0.90 TACR2 (0.42) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9029048 0.90 TACR2 (0.42) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9027233 0.89 CYP3A4 (0.40) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL9027166 0.88 CYP3A4 (0.40) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL9027646 0.88 TACR2 (0.42) MEN1KMT2ATACR1
SCHEMBL9028242 0.88 CYP3A4 (0.40) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL9027505 0.88 TACR2 (0.42) MEN1KMT2ATACR1
SCHEMBL9026988 0.87 CYP3A4 (0.41) EPHX2MEN1KMT2AOPRD1OPRK1

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
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed