SCHEMBL2853284

SCHEMBL2853284

Cc1ccc(-n2cc(OC(=O)NCCc3cccc(Cl)c3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HIF1A Q16665 1/20 0.41
ABCB1 P08183 1/20 0.41
GCGR P47871 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40

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
SCHEMBL2850489 0.93 TAAR1 (0.53) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2857531 0.91 TAAR1 (0.52) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2856221 0.91 TAAR1 (0.49) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2853130 0.90 TAAR1 (0.45) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2858248 0.90 TAAR1 (0.45) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2859081 0.88 TAAR1 (0.45) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2853269 0.85 GCGR (0.41) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2852714 0.83 TAAR1 (0.48) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2855572 0.83 TAAR1 (0.48) TAAR1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2852542 0.80 GCGR (0.45) TAAR1TRPV1GCGR

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