SCHEMBL31114280

SCHEMBL31114280

C=CCNCc1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC1 Q13547 2/20 0.51
SCN8A Q9UQD0 1/20 0.51
BCHE P06276 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HTR2A P28223 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP13 P45452 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL25175588 1.00 CHRM2 (0.60) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL1134127 0.84 CHRM2 (0.74) CHRM2MEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL6122475 0.83 CHRM2 (0.72) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL27632876 0.83 CHRM2 (0.59) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL366586 0.82 CHRM2 (0.40) CHRM2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4916089 0.81 CHRM2 (0.81) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL22912213 0.80 ALDH1A1 (0.56) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL5759180 0.80 ALDH1A1 (0.59) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL8279674 0.80 CHRM2 (0.68) CHRM2MEN1KMT2AALDH1A1HTT
SCHEMBL4916807 0.80 CHRM2 (0.84) CHRM2MEN1KMT2AALDH1A1HTT

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
CN-118382614-A Novel benzyl tryptamine compounds 瑞安神经科学公司 2024-07-23 CN disclosed