SCHEMBL9720665

SCHEMBL9720665

c1ccc(C(c2ccccc2)N2CCN(Cc3c[nH]cn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL4751042 0.78 KDM4E (0.61) ATMMEN1KMT2AOPRM1OPRD1
SCHEMBL31350727 0.78 ALDH1A1 (0.57) MEN1KMT2ANPSR1ALDH1A1MAPT
Histamine SCHEMBL3981179 0.76 MEN1 (0.56) MEN1KMT2AOPRM1OPRD1CYP2D6
SCHEMBL11175060 0.75 OPRD1 (0.56) ATMMEN1KMT2AOPRM1OPRD1
SCHEMBL8964119 0.75 LMNA (0.53) ATMMEN1KMT2AOPRM1OPRD1
SCHEMBL4779173 0.74 ALDH1A1 (0.47) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL7311276 0.74 ATM (0.84) ATMMEN1KMT2AOPRM1OPRD1
SCHEMBL22548971 0.73 HRH3 (0.41)
SCHEMBL8963667 0.73 CD44 (0.54) ATMMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL16226937 0.72 ATM (0.82) ATMMEN1KMT2AOPRM1OPRD1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed