SCHEMBL23905701

SCHEMBL23905701

CC1COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
HRH1 P35367 16/20 0.33
KCNH2 Q12809 16/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL23905426 0.94 AR (0.34) ARHRH1KCNH2POLB
SCHEMBL24363611 0.93 POLB (0.38) POLBHTR2CHTR2B
SCHEMBL24345454 0.93 POLB (0.38) POLBHTR2CHTR2B
SCHEMBL23905558 0.90 GABRA5 (0.31) AR
SCHEMBL23905459 0.87 POLB (0.36) POLB
SCHEMBL24363581 0.86 SLC5A7 (0.38)
SCHEMBL23683774 0.84 AR (0.34) ARHRH1KCNH2POLBCYP3A4
SCHEMBL24345695 0.84 AR (0.35) ARHRH1KCNH2POLBCYP3A4
SCHEMBL24987227 0.84 AR (0.36) ARHRH1KCNH2POLBCYP3A4
SCHEMBL23685131 0.84 AR (0.35) ARHRH1KCNH2POLB

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed