SCHEMBL2860669

SCHEMBL2860669

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
CNR1 P21554 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.41
CCR1 P32246 3/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
P2RX7 Q99572 1/20 0.40
ABCB1 P08183 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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 0.96 TP53 (0.46) TAAR1CNR1MAPTLMNATP53
SCHEMBL2860458 0.96 TP53 (0.46) TAAR1CNR1MAPTLMNATP53
SCHEMBL2850618 0.96 MAPT (0.44) TAAR1CNR1MAPTLMNACCR1
SCHEMBL2857768 0.95 CNR1 (0.43) TAAR1CNR1MAPTLMNACCR1
SCHEMBL2859861 0.95 TAAR1 (0.51) TAAR1CNR1MAPTLMNATP53
SCHEMBL2855547 0.95 TAAR1 (0.54) TAAR1CNR1MAPTLMNACCR1
SCHEMBL2860468 0.94 KDM4E (0.44) TAAR1CNR1MAPTLMNACCR1
SCHEMBL2852524 0.93 TAAR1 (0.45) TAAR1CNR1MAPTLMNAABCB1
SCHEMBL2853462 0.92 TRPV1 (0.42) TAAR1CNR1MAPTCCR1P2RX7
SCHEMBL2852839 0.91 SLC7A5 (0.40) TAAR1MAPTLMNACCR1P2RX7

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