SCHEMBL2850489

SCHEMBL2850489

O=C(NCCc1cccc(Cl)c1)Oc1cnn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
CNR1 P21554 2/20 0.48
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HIF1A Q16665 1/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
MAPT P10636 1/20 0.41
ALKBH1 Q13686 1/20 0.41

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
SCHEMBL2856221 0.94 TAAR1 (0.49) TAAR1CNR1SMN1; SMN2KMT2AMEN1
SCHEMBL2853284 0.93 IDO1 (0.46) TAAR1CNR1ABCB1SMN1; SMN2KMT2A
SCHEMBL2853130 0.93 TAAR1 (0.45) TAAR1CNR1ABCB1SMN1; SMN2KMT2A
SCHEMBL2858248 0.93 TAAR1 (0.45) TAAR1CNR1ABCB1SMN1; SMN2KMT2A
SCHEMBL2857531 0.92 TAAR1 (0.52) TAAR1CNR1SMN1; SMN2KMT2AMEN1
SCHEMBL2859081 0.91 TAAR1 (0.45) TAAR1CNR1ABCB1SMN1; SMN2KMT2A
SCHEMBL2855572 0.88 TAAR1 (0.48) TAAR1CNR1ABCB1SMN1; SMN2KMT2A
SCHEMBL2852714 0.86 TAAR1 (0.48) TAAR1CNR1SMN1; SMN2KMT2AMEN1
SCHEMBL2856396 0.85 TAAR1 (0.46) TAAR1CNR1KMT2AMEN1NPC1
SCHEMBL2852542 0.82 GCGR (0.45) TAAR1TRPV1

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