SCHEMBL2860468

SCHEMBL2860468

O=C(NCCc1ccncc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
CCR1 P32246 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
P2RX7 Q99572 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCB1 P08183 2/20 0.37
MAPK1 P28482 2/20 0.37
ACHE P22303 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
SCHEMBL2860669 0.94 TAAR1 (0.46) KDM4ETAAR1MAPTCNR1LMNA
SCHEMBL2855547 0.91 TAAR1 (0.54) KDM4ETAAR1MAPTCNR1LMNA
SCHEMBL2850857 0.90 TP53 (0.46) TAAR1MAPTCNR1LMNAP2RX7
SCHEMBL2860458 0.90 TP53 (0.46) TAAR1MAPTCNR1LMNAP2RX7
SCHEMBL2850618 0.90 MAPT (0.44) TAAR1MAPTCNR1LMNACCR1
SCHEMBL2854322 0.90 ABCB1 (0.45) KDM4EMAPTLMNACCR1P2RX7
SCHEMBL2853193 0.90 MAPT (0.43) TAAR1MAPTLMNACCR1ABCB1
SCHEMBL2857768 0.89 CNR1 (0.43) TAAR1MAPTCNR1LMNACCR1
SCHEMBL2859861 0.89 TAAR1 (0.51) KDM4ETAAR1MAPTCNR1LMNA
SCHEMBL2852524 0.88 TAAR1 (0.45) TAAR1MAPTCNR1LMNAABCB1

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