SCHEMBL28021271

SCHEMBL28021271

CCCCc1ccccc1C(=O)NCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.53
CHRM2 P08172 3/20 0.52
CHRM4 P08173 3/20 0.52
CHRM3 P20309 3/20 0.52
CHRM5 P08912 2/20 0.52
HTR4 Q13639 3/20 0.48
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45

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
SCHEMBL22122848 0.89 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13162900 0.79 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL7213953 0.76 HTR4 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL28602013 0.74 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13543095 0.74 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2458991 0.74 CNR1 (0.48)
Hydrochloric Acid SCHEMBL26185465 0.73 GNAI3 (0.44) TYRO3MERTK
Hydrochloric Acid SCHEMBL26185526 0.73 GNAI3 (0.44) TYRO3MERTK
SCHEMBL3330915 0.73 SMN1; SMN2 (0.56) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL7987100 0.72 LMNA (0.51) CHRM1

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
CN-104662024-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2015-05-27 CN disclosed