SCHEMBL2848475

SCHEMBL2848475

COc1cc(CCNC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
MAPT P10636 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CCR1 P32246 3/20 0.40
ABCB1 P08183 1/20 0.39
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.37
FPR2 P25090 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2863131 0.92 CNR1 (0.50) CNR1MAPTTAAR1CCR1ABCB1
SCHEMBL2850314 0.92 P2RX7 (0.42) CNR1MAPTTAAR1CCR1NPSR1
SCHEMBL2859429 0.91 NPC1 (0.46) MAPTTAAR1NPSR1GAANPC1
SCHEMBL2855623 0.91 CCR1 (0.44) CNR1MAPTCCR1ABCB1NPSR1
SCHEMBL2860669 0.89 TAAR1 (0.46) CNR1MAPTTAAR1CCR1ABCB1
SCHEMBL2854891 0.88 ABCB1 (0.52) CNR1ABCB1GAATP53
SCHEMBL2855547 0.86 TAAR1 (0.54) CNR1MAPTTAAR1CCR1ABCB1
SCHEMBL2857600 0.85 CNR1 (0.46) CNR1MAPTTAAR1CCR1ABCB1
SCHEMBL2852505 0.85 ABCB1 (0.48) CNR1MAPTTAAR1CCR1ABCB1
SCHEMBL2853462 0.85 TRPV1 (0.42) CNR1MAPTTAAR1CCR1ABCB1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed