SCHEMBL2853336

SCHEMBL2853336

O=C(NCCc1ccc(Cl)cc1)Oc1cnn(-c2ncccn2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
GPBAR1 Q8TDU6 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
TRPA1 O75762 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2859714 0.91 KDM4E (0.42) MAPTCNR1NPC1RAB9AALDH1A1
SCHEMBL2859594 0.90 TAAR1 (0.45) TAAR1GPBAR1MEN1KMT2AMAPT
SCHEMBL2860669 0.88 TAAR1 (0.46) TAAR1MAPTCNR1HRH4HRH3
SCHEMBL2859861 0.87 TAAR1 (0.51) TAAR1KMT2AMAPTCNR1ALDH1A1
SCHEMBL2853186 0.86 TRPV1 (0.41) MEN1KMT2AMAPTCNR1LMNA
SCHEMBL2855547 0.85 TAAR1 (0.54) TAAR1MAPTCNR1NPC1RAB9A
SCHEMBL2859504 0.85 TAAR1 (0.43) TAAR1GPBAR1MEN1KMT2AMAPT
SCHEMBL2860468 0.84 KDM4E (0.44) TAAR1MAPTCNR1HRH4HRH3
SCHEMBL2860458 0.84 TP53 (0.46) TAAR1MAPTCNR1LMNATSHR
SCHEMBL2850618 0.84 MAPT (0.44) TAAR1MAPTCNR1HRH4HRH3

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