SCHEMBL29220441

SCHEMBL29220441

COc1ccc([CH]CC2CCN(CC(=O)c3ccc(F)cc3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR1A P08908 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HTR2C P28335 4/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 2/20 0.42
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL30832017 0.78 SMN1; SMN2 (0.42) HTR2AHTR1ATMEM97ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL29280867 0.77 GABRA5 (0.48) KCNH2CYP2C19
SCHEMBL30832023 0.76 MLLT1 (0.43) HTR2AHTR1ATMEM97ALDH1A1TSHR
SCHEMBL30832010 0.76 MEN1 (0.41) HTR2AHTR1ATMEM97ALDH1A1TSHR
SCHEMBL9343644 0.71 HTR2A (0.59) HTR2AHTR1ATMEM97ALDH1A1TSHR
SCHEMBL10587379 0.71 ALDH1A1 (0.57) HTR2AALDH1A1TSHRHTR2CKCNH2
SCHEMBL29208102 0.70 HTR2A (0.58) HTR2AHTR1ATMEM97ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9340630 0.70 HTR2A (0.58) HTR2AHTR1ATMEM97ALDH1A1TSHR
SCHEMBL28133568 0.70 HTR2A (0.58) HTR2AHTR1ATMEM97ALDH1A1TSHR
SCHEMBL29208006 0.70 HTR2A (0.54) HTR2AHTR1ATMEM97ALDH1A1TSHR

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-117820202-A Carbamic acid compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-04-05 CN disclosed