SCHEMBL14035487

SCHEMBL14035487

C[C@@H](c1cc(F)c(F)c(F)c1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP19A1 P11511 1/20 0.36
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 5/20 0.35
KCNH2 Q12809 4/20 0.35
OGA O60502 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MC4R P32245 1/20 0.33
TACR1 P25103 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
SCHEMBL14035319 0.84 CHRM2 (0.45) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL14035226 0.84 CHRM2 (0.45) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL14035317 0.83 CHRM2 (0.49) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL8458368 0.83 CHRM2 (0.49) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL14035488 0.83 CHRM2 (0.49) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL5133764 0.79 HRH3 (0.35) ALDH1A1
SCHEMBL4102926 0.79 HRH3 (0.35) ALDH1A1
SCHEMBL4094000 0.79 HRH3 (0.35) ALDH1A1
SCHEMBL14035277 0.78 CHRM2 (0.35) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL14035268 0.78 CHRM2 (0.35) CHRM2CHRM1MEN1KMT2ACYP2D6

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-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed