SCHEMBL10253166

SCHEMBL10253166

C=C(CCc1ccc(F)cc1)N1CCC(C(=O)NCCc2ccccc2F)(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.44
OPRL1 P41146 2/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR3 P51677 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
TRPA1 O75762 1/20 0.39
METAP2 P50579 1/20 0.38
TACR1 P25103 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
SCHEMBL2497408 0.91 CHRM5 (0.51) CHRM5CHRM3KMT2AMEN1RAB9A
SCHEMBL10254743 0.89 CHRM5 (0.54) CHRM5CHRM3KMT2ARAB9AOPRL1
SCHEMBL10253404 0.86 OPRL1 (0.55) CHRM5CHRM3KMT2ARAB9AOPRL1
SCHEMBL10253999 0.85 OPRL1 (0.56) CHRM5CHRM3KMT2AMEN1RAB9A
SCHEMBL14327377 0.83 PLAAT3 (0.48) CHRM5CHRM3KMT2AMEN1OPRL1
SCHEMBL2470375 0.82 CHRM5 (0.49) CHRM5CHRM3KMT2AMEN1OPRL1
SCHEMBL2472379 0.80 CHRM5 (0.55) CHRM5CHRM3KMT2AMEN1
SCHEMBL378864 0.79 CHRM5 (0.57) CHRM5CHRM3KMT2AMEN1RAB9A
SCHEMBL10260225 0.79 OPRL1 (0.50) CHRM5CHRM3KMT2AOPRL1SMN1; SMN2
SCHEMBL2471734 0.78 EPHX2 (0.53) CHRM5CHRM3KMT2AMEN1PLAAT3

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-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed