SCHEMBL30404244

SCHEMBL30404244

COc1cnc2c(ccn2C[C@@H](C)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GLO1 Q04760 1/20 0.33

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
SCHEMBL25301751 1.00 HTR2C (0.43) HTR2CHTR2AUSP2ALDH1A1CYP1A2
SCHEMBL24110220 1.00 HTR2C (0.43) HTR2CHTR2AUSP2ALDH1A1CYP1A2
SCHEMBL24110210 0.84 HTR2C (0.62) HTR2CHTR2A
SCHEMBL25296103 0.84 HTR2C (0.62) HTR2CHTR2A
SCHEMBL25818036 0.82 HTR2A (0.38) HTR2CHTR2ACYP1A2GLO1
SCHEMBL30404903 0.82 HTR2C (0.43) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL24110211 0.82 HTR2C (0.43) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL25300885 0.82 HTR2C (0.43) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL24109831 0.78 HTR2C (0.57) HTR2CHTR2AALDH1A1HSD17B10KDM4E
SCHEMBL30403505 0.78 HTR2C (0.57) HTR2CHTR2AALDH1A1HSD17B10KDM4E

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
EP-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed