SCHEMBL30850112

SCHEMBL30850112

O=C1c2ccccc2C(=O)N1[C@@H]1CNCC[C@@H]1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.42
HTR2C P28335 6/20 0.42
HTR2A P28223 5/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL15517107 0.80 HTR2B (0.49) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL11978254 0.80 HTR2B (0.43) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL16169051 0.80 HTR2B (0.46) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL30619211 0.77 ALDH1A1 (0.42) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL26611531 0.77 ALDH1A1 (0.42) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL24424025 0.76 HTR2B (0.58) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL29585627 0.76 HTR2B (0.58) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL31238892 0.76 HTR2B (0.58) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL23971203 0.75 HTR2B (0.40) HTR2BHTR2CHTR2AALDH1A1CHRM2
SCHEMBL24850196 0.75 HTR2B (0.40) HTR2BHTR2CHTR2AALDH1A1CHRM2

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-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed