SCHEMBL10401770

SCHEMBL10401770

CN(C)CCNC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
PANK3 Q9H999 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
HTR6 P50406 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52

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
Maleic Acid SCHEMBL10401426 0.93 RAB9A (0.61) CHRM4LMNAALDH1A1SMN1; SMN2MAPT
Fumaric Acid SCHEMBL10401427 0.93 RAB9A (0.61) CHRM4LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL10401540 0.88 CHRM4 (0.55) CHRM4LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL10402030 0.87 MEN1 (0.49) CHRM4LMNASMN1; SMN2MAPTHTT
SCHEMBL10401849 0.86 CHRM4 (0.54) CHRM4LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL10401826 0.86 DRD2 (0.62) LMNAALDH1A1SMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL10401899 0.86 MEN1 (0.48) CHRM4LMNASMN1; SMN2MAPTHTT
SCHEMBL10401429 0.86 KMT2A (0.56) LMNAALDH1A1MAPTHTR1ACA12
SCHEMBL10401384 0.85 SMN1; SMN2 (0.62) LMNAALDH1A1SMN1; SMN2MAPTHTT
Oxalic Acid SCHEMBL10401881 0.84 CHRM4 (0.54) CHRM4LMNAALDH1A1SMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US claimed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP claimed