SCHEMBL2852671

SCHEMBL2852671

O=C(NCCc1ccccc1)Oc1cnn(-c2ccc(F)c(F)c2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SCD O00767 1/20 0.37
GLA P06280 1/20 0.37
FAAH O00519 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
SCHEMBL2854346 0.89 MAPT (0.52) MAPTLMNATHRBTAAR1P2RX7
SCHEMBL2854509 0.89 KDM4E (0.50) MAPTTAAR1KDM4EALDH1A1NPC1
SCHEMBL2852941 0.89 POLB (0.44) MAPTLMNATHRBTAAR1KDM4E
SCHEMBL2855547 0.88 TAAR1 (0.54) MAPTLMNATAAR1P2RX7KDM4E
SCHEMBL2860253 0.87 PLAAT3 (0.47) MAPTLMNATAAR1KDM4EALDH1A1
SCHEMBL2856562 0.85 MAPT (0.48) MAPTLMNATAAR1P2RX7KDM4E
SCHEMBL2852633 0.85 TAAR1 (0.57) MAPTLMNATHRBTAAR1KDM4E
SCHEMBL2853061 0.85 KDM4E (0.44) MAPTLMNATHRBTAAR1P2RX7
SCHEMBL2859861 0.84 TAAR1 (0.51) MAPTLMNATAAR1KDM4EALDH1A1
SCHEMBL2863154 0.84 MAPT (0.45) MAPTLMNAP2RX7KDM4EALDH1A1

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