SCHEMBL4574384

SCHEMBL4574384

C[C@H]1CN(C(=O)O)CCN1Cc1cc(F)cc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.43
CHRM1 P11229 2/20 0.36
CHRM2 P08172 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 2/20 0.35
ADAMTS5 Q9UNA0 5/20 0.34
ADAMTS4 O75173 3/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MMP2 P08253 1/20 0.33

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
SCHEMBL4591026 1.00 RIPK1 (0.43) RIPK1CHRM1CHRM2ALDH1A1DPP4
SCHEMBL4591030 1.00 RIPK1 (0.43) RIPK1CHRM1CHRM2ALDH1A1DPP4
SCHEMBL14013369 0.78 CFD (0.37) RIPK1
SCHEMBL14013278 0.78 CFD (0.37) RIPK1
SCHEMBL4574349 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL20818283 0.73 ALDH1A1 (0.48) CHRM1ALDH1A1
SCHEMBL3322121 0.72 CHRM1 (0.55) CHRM1ALDH1A1
SCHEMBL4575085 0.71 RIPK1 (0.38) RIPK1DPP4
SCHEMBL4574098 0.71 RIPK1 (0.38) RIPK1DPP4
SCHEMBL8033959 0.70 CHRM1 (0.54) CHRM1ALDH1A1

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-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed