SCHEMBL8242528

SCHEMBL8242528

CC1CCN(C(=O)CCn2ccc3cc(Cl)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
KMO O15229 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KRAS P01116 2/20 0.44
MAPT P10636 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
F10 P00742 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL65671 0.84 F10 (0.44) KMOHRH3KRASMAPTF10
SCHEMBL56764 0.84 F10 (0.44) MEN1KMT2AALDH1A1KMOHRH3
SCHEMBL57175 0.80 TACR1 (0.43) KMOHRH3KRASMAPTF10
SCHEMBL57307 0.79 HRH3 (0.48) KMT2AKMOHRH3KRASMAPT
SCHEMBL66257 0.77 F2 (0.43) KMT2APOLBKMOHRH3SMN1; SMN2
SCHEMBL13980991 0.77 KMO (0.58) LMNAKMOSMN1; SMN2KRASMAPT
SCHEMBL66061 0.76 HRH3 (0.41) KMOHRH3KRASMAPTF10
SCHEMBL10203773 0.76 KMO (0.57) LMNAKMOSMN1; SMN2KRASMAPT
SCHEMBL1576323 0.76 KMO (0.78) LMNAKMOHTR2AHTR2COXER1
SCHEMBL11947275 0.74 KMO (0.44) MEN1KMT2AALDH1A1HPGDKMO

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
WO-2007050522-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-03 WO disclosed