SCHEMBL9414519

SCHEMBL9414519

N#CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
KCNH2 Q12809 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL5163408 0.85 ACP3 (0.43) MEN1KMT2ASMN1; SMN2KCNH2TSHR
SCHEMBL16768484 0.83 TSHR (0.40) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL27991493 0.79 TSHR (0.47) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL3646262 0.79 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2KCNH2LMNA
SCHEMBL7286111 0.78 MEN1 (0.51) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL17288627 0.78 MEN1 (0.51) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL3347069 0.77 CASR (0.46) TSHRMAPK1
SCHEMBL4667564 0.74 SCN1A (0.65) SMN1; SMN2SCN1ASCN2ASCN3AKCNH2
SCHEMBL1505811 0.70 SCN1A (0.50) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL4669231 0.70 SLC6A2 (0.61) SMN1; SMN2SCN1ASCN2ASCN3AKCNH2

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
EP-0613880-A1 Agent and method for the immunological determination of Diphenhydramine and its metabolites MERCK PATENT GmbH (DE) 1994-09-07 EP disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed