SCHEMBL2860458

SCHEMBL2860458

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
P2RX7 Q99572 1/20 0.46
CNR1 P21554 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL2850857 1.00 TP53 (0.46) TP53P2RX7CNR1NPSR1TAAR1
SCHEMBL2860669 0.96 TAAR1 (0.46) TP53P2RX7CNR1TAAR1MAPT
SCHEMBL2863154 0.95 MAPT (0.45) TP53P2RX7MAPTLMNATSHR
SCHEMBL2850618 0.92 MAPT (0.44) TP53P2RX7CNR1TAAR1MAPT
SCHEMBL2857768 0.91 CNR1 (0.43) TP53P2RX7CNR1NPSR1TAAR1
SCHEMBL2859861 0.91 TAAR1 (0.51) TP53CNR1NPSR1TAAR1MAPT
SCHEMBL2855547 0.91 TAAR1 (0.54) P2RX7CNR1NPSR1TAAR1MAPT
SCHEMBL2861752 0.91 MAPT (0.43) TP53P2RX7MAPTLMNATSHR
SCHEMBL2860468 0.90 KDM4E (0.44) P2RX7CNR1TAAR1MAPTLMNA
SCHEMBL2854309 0.90 MAPT (0.42) TP53P2RX7MAPTLMNATSHR

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