SCHEMBL21396910

SCHEMBL21396910

NCC1CCN(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.50
CXCR4 P61073 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.40
RAD51 Q06609 1/20 0.39
MMP2 P08253 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DPP4 P27487 1/20 0.39
ADRB1 P08588 1/20 0.38
NOTUM Q6P988 1/20 0.38
FPR2 P25090 2/20 0.37
PROKR1 Q8TCW9 2/20 0.37

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
SCHEMBL4167390 0.86 MAPT (0.56) BPTFCXCR4LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4185133 0.84 MAPT (0.54) BPTFCXCR4LMNAMAPTALOX12
SCHEMBL4168468 0.83 LMNA (0.44) LMNAMAPTALOX12SMN1; SMN2L3MBTL1
SCHEMBL23901548 0.80 MAPT (0.48) BPTFCXCR4LMNAMAPTALOX12
SCHEMBL31320012 0.79 NOTUM (0.45) BPTFCHRM2CHRM5CHRM1CHRM3
SCHEMBL21397270 0.78 CHRM4 (0.49) BPTFSUV39H2DPP4
SCHEMBL22655589 0.77 NOTUM (0.46) BPTFCHRM2CHRM5CHRM1CHRM3
SCHEMBL22655484 0.77 NOTUM (0.46) BPTFCHRM2CHRM5CHRM1CHRM3
SCHEMBL22680293 0.77 NOTUM (0.46) BPTFCHRM2CHRM5CHRM1CHRM3
SCHEMBL30656691 0.77 NOTUM (0.46) BPTFCHRM2CHRM5CHRM1CHRM3

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed