SCHEMBL2855846

SCHEMBL2855846

O=C(NCCCc1ccccc1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.46
EPHX1 P07099 1/20 0.46
CNR2 P34972 1/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.42
PKM P14618 1/20 0.42
CCR1 P32246 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2856146 0.94 CNR1 (0.53) CNR1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2880891 0.89 CNR1 (0.54) CNR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2853232 0.88 CCR1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL2860983 0.86 MAPT (0.49) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2852504 0.85 CNR1 (0.56) CNR1LMNATP53RAB9ANPC1
SCHEMBL2857734 0.84 CNR1 (0.49) CNR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2854327 0.83 CNR1 (0.58) CNR1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2855610 0.83 CNR1 (0.58) CNR1SMN1; SMN2KMT2AHTTRAB9A
SCHEMBL2858063 0.82 MAPT (0.57) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2852086 0.82 ITGB3 (0.53) LMNAALDH1A1RAB9ANPC1KDM4E

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 disclosed