SCHEMBL2857768

SCHEMBL2857768

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
GRK2 P25098 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CCR1 P32246 3/20 0.37
TP53 P04637 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
P2RX7 Q99572 1/20 0.37
ABCB1 P08183 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 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 0.95 TAAR1 (0.46) CNR1TAAR1MAPTLMNACCR1
SCHEMBL2860458 0.91 TP53 (0.46) CNR1TAAR1MAPTLMNATP53
SCHEMBL2850618 0.91 MAPT (0.44) CNR1TAAR1MAPTLMNACCR1
SCHEMBL2850857 0.91 TP53 (0.46) CNR1TAAR1MAPTLMNATP53
SCHEMBL2854309 0.91 MAPT (0.42) MAPTKMT2ALMNACCR1TP53
SCHEMBL2855547 0.90 TAAR1 (0.54) CNR1TAAR1MAPTPOLBLMNA
SCHEMBL2859861 0.90 TAAR1 (0.51) CNR1TAAR1MAPTPOLBKMT2A
SCHEMBL2854793 0.90 KDM4E (0.46) TAAR1MAPTPOLBTP53NPC1
SCHEMBL2860468 0.89 KDM4E (0.44) CNR1TAAR1MAPTLMNACCR1
SCHEMBL2852524 0.89 TAAR1 (0.45) CNR1TAAR1MAPTLMNAABCB1

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