SCHEMBL8051571

SCHEMBL8051571

c1ccc(C(c2ccccc2)N2CCNCC2CCCC2CNCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
OPRD1 P41143 6/20 0.39
TAAR1 Q96RJ0 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37

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
Hydrochloric Acid SCHEMBL8693224 0.90 MEN1 (0.42) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL16757270 0.85 SLC6A2 (0.44) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL27402701 0.85 MEN1 (0.51) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL9842210 0.84 OPRD1 (0.38) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL4275538 0.81 MEN1 (0.44) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL9842205 0.80 OPRD1 (0.43) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL4153276 0.78 MEN1 (0.53) MEN1KMT2ASLC6A3OPRD1USP2
SCHEMBL4153281 0.78 MEN1 (0.53) MEN1KMT2ASLC6A3OPRD1USP2
SCHEMBL28346601 0.77 TAAR1 (0.43) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL9842320 0.77 OPRD1 (0.36) KMT2AOPRD1OPRM1

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
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed