SCHEMBL2852183

SCHEMBL2852183

O=C(NCCc1ccccc1)Oc1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
SCD O00767 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2854509 0.85 KDM4E (0.50) TAAR1GLANPC1RAB9ASMN1; SMN2
SCHEMBL2859076 0.84 KEAP1 (0.42) ALDH1A1
SCHEMBL2855547 0.84 TAAR1 (0.54) TAAR1GLANPC1RAB9ASMN1; SMN2
SCHEMBL2852810 0.84 KDM4E (0.48) GLANPC1RAB9ASMN1; SMN2GAA
SCHEMBL2859861 0.82 TAAR1 (0.51) TAAR1GLASMN1; SMN2ALDH1A1TP53
SCHEMBL2857181 0.82 CCR1 (0.47) GAA
SCHEMBL2860253 0.81 PLAAT3 (0.47) TAAR1GLANPC1RAB9ASMN1; SMN2
SCHEMBL2854346 0.81 MAPT (0.52) TAAR1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2859594 0.81 TAAR1 (0.45) TAAR1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2851930 0.81 TAAR1 (0.47) TAAR1GLANPC1RAB9ASMN1; SMN2

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