SCHEMBL2861752

SCHEMBL2861752

O=C(NCCc1ccc(O)cc1)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
P2RX7 Q99572 1/20 0.42
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMO Q99835 2/20 0.38
TP53 P04637 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CCR1 P32246 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
F13A1 P00488 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
SPR P35270 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
SCHEMBL2863154 0.96 MAPT (0.45) MAPTP2RX7TSHRL3MBTL1SMO
SCHEMBL2850618 0.91 MAPT (0.44) MAPTP2RX7TP53CCR1LMNA
SCHEMBL2860458 0.91 TP53 (0.46) MAPTP2RX7TSHRL3MBTL1TP53
SCHEMBL2850857 0.91 TP53 (0.46) MAPTP2RX7TSHRL3MBTL1TP53
SCHEMBL2854309 0.91 MAPT (0.42) MAPTP2RX7TSHRL3MBTL1SMO
SCHEMBL2854346 0.91 MAPT (0.52) MAPTP2RX7TSHRL3MBTL1TP53
SCHEMBL2856562 0.91 MAPT (0.48) MAPTP2RX7TSHRL3MBTL1SMO
SCHEMBL2860110 0.91 KDM4E (0.47) MAPTL3MBTL1TP53LMNAKDM4E
SCHEMBL2854598 0.89 TRPV1 (0.41) MAPTP2RX7TSHRL3MBTL1SMO
SCHEMBL2860669 0.87 TAAR1 (0.46) MAPTP2RX7TP53CCR1LMNA

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