SCHEMBL30777136

SCHEMBL30777136

O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
MC3R P41968 12/20 0.66
MC5R P33032 11/20 0.66
MC4R P32245 9/20 0.66
SLC6A2 P23975 1/20 0.65
FNTA P49354 1/20 0.65
FNTB P49356 1/20 0.65
CDK4 P11802 1/20 0.61
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CFTR P13569 1/20 0.58
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL18229448 1.00 MEN1 (0.85) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL24723809 0.86 CDK4 (0.77) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL1854197 0.82 MEN1 (0.80) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL28118487 0.82 SLC6A2 (0.68) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL24723375 0.81 KDM4E (0.66) MEN1KMT2AKDM4EMAPT
SCHEMBL7866505 0.81 MC5R (0.63) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL9596859 0.80 MEN1 (0.68) MEN1KMT2AMC3RMC5RMC4R
Hydrochloric Acid SCHEMBL7866528 0.80 MC5R (0.62) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL29992703 0.79 PKM (0.64) MEN1KMT2AMC3RMC5RMC4R
SCHEMBL1852400 0.79 PKM (0.64) MEN1KMT2AMC3RMC5RMC4R

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-117597329-A Method for the catalytic synthesis of tryptamine and precursors thereof 凯尔化学科技公司 2024-02-23 CN disclosed