SCHEMBL7438580

SCHEMBL7438580

FC(c1ccccc1)N1[CH]CNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 10/20 0.38
SLC6A2 P23975 9/20 0.38
OPRD1 P41143 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SLC6A3 Q01959 4/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2794665 0.82 MEN1 (0.56) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL7428163 0.79 MEN1 (0.44) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL1934346 0.74 MEN1 (0.66) MEN1KMT2ASLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL27495835 0.73 MEN1 (0.63) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL9813071 0.69 SIGMAR1 (0.41) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL27664880 0.67 MEN1 (0.42) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL518318 0.65
SCHEMBL739058 0.64 SIGMAR1 (0.52) MEN1KMT2ASLC6A4SLC6A2SIGMAR1
SCHEMBL3208256 0.62 CYP1A2 (0.63) MEN1KMT2ACYP2D6KCNH2CYP2C9
SCHEMBL219432 0.62 MEN1 (1.00) MEN1KMT2ASLC6A4SLC6A2OPRD1

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
EP-0479665-A2 1,4-Dihydropyridine derivatives, method for preparing the same and use thereof TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 1992-04-08 EP disclosed