SCHEMBL23905323

SCHEMBL23905323

Cc1cc(OC2CC2)c2ncc(F)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
PIK3CA P42336 5/20 0.35
SCD O00767 2/20 0.35
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
GRM5 P41594 4/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
PIK3R1 P27986 1/20 0.32
CHRM4 P08173 2/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
CYP2D6 P10635 1/20 0.31
GPR6 P46095 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
SCHEMBL23958594 0.88 CCR1 (0.44) SYKPIK3CACCR1CCR5CCR8
SCHEMBL23905332 0.83 SYK (0.37) SYKPIK3CACCR1CCR5CCR8
SCHEMBL23904831 0.79 CA12 (0.38) PDGFRBPDGFRA
SCHEMBL23904835 0.78 SCD (0.39) SCD
SCHEMBL23905484 0.77 CCR1 (0.40) SYKPIK3CACCR1CCR5CCR8
SCHEMBL23905312 0.75 MCHR1 (0.39) SYKSCDCCR1CCR5CCR8
SCHEMBL23905370 0.73 ELANE (0.37) CCR1CCR5CCR8
SCHEMBL20064280 0.72 MCHR1 (0.48) GRM5
SCHEMBL23196004 0.72 KMO (0.40) CCR1CCR5CCR8
SCHEMBL30007139 0.72 KMO (0.40) CCR1CCR5CCR8

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