SCHEMBL29423951

SCHEMBL29423951

CCOC(=O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(NCC6CCOCC6)cc5C(F)(F)F)ccc4F)ccc3[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
CNR2 P34972 6/20 0.35
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ABL1 P00519 1/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL23952766 0.92 FFAR1 (0.42) FFAR1CNR2PRKCQPRKCDPIM1
SCHEMBL16845954 0.92 FFAR1 (0.42) FFAR1CNR2PRKCQPRKCDPIM1
SCHEMBL23952822 0.88 FFAR1 (0.43) FFAR1CNR2PIM1PIM2ABL1
SCHEMBL18959463 0.88 PRKCQ (0.37) FFAR1CNR2PRKCQPRKCDPIM1
SCHEMBL29423913 0.84 FFAR1 (0.43) FFAR1
SCHEMBL29423891 0.81 FFAR1 (0.40) FFAR1
SCHEMBL29423955 0.80 FFAR1 (0.45) FFAR1
SCHEMBL23952770 0.78 FFAR1 (0.41) FFAR1CNR2
SCHEMBL29423900 0.77 FFAR1 (0.44) FFAR1
SCHEMBL15474005 0.75 FFAR1 (0.52) FFAR1

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed