SCHEMBL20138486

SCHEMBL20138486

CCC(C(N)=O)(c1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 1/20 0.50
HRH1 P35367 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
MAPT P10636 1/20 0.40
CHRM3 P20309 7/20 0.39
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL25416177 0.88 MEN1 (0.53) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL5049560 0.87 KEAP1 (0.49) KMT2ACYP2D6MAPTCHRM3CHRM2
SCHEMBL5049483 0.85 KEAP1 (0.47) KMT2ACYP2D6MEN1MAPTCHRM3
SCHEMBL27934877 0.81 MEN1 (0.36) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL8129248 0.81 MEN1 (0.51) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL5161856 0.79 MAPT (0.49) MAPT
SCHEMBL30874977 0.79 OPRD1 (0.34) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL27626467 0.78 KMT2A (0.54) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL959566 0.77 KMT2A (0.57) KMT2ALMNACYP2D6MEN1HRH1
SCHEMBL31347956 0.75 CYP2D6 (0.41) KMT2ALMNACYP2D6MEN1HRH1

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-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed