SCHEMBL28618675

SCHEMBL28618675

CC1CCc2ccc(Cl)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.44
▸ HTR2B P41595 8/20 0.44
▸ HTR2A P28223 7/20 0.44
▸ SLC6A4 P31645 4/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SRD5A1 P18405 2/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ PNMT P11086 1/20 0.38
▸ AR P10275 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38

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
SCHEMBL166021 0.89 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL10841091 0.87 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL29659975 0.87 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL7897325 0.81 CMA1 (0.43) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL24359176 0.79 HTR5A (0.39) HTR2CHTR2BHTR2ASLC6A4SRD5A1
SCHEMBL10991106 0.79 HTR5A (0.39) HTR2CHTR2BHTR2ASLC6A4SRD5A1
SCHEMBL4102066 0.78 HTR2C (0.44) HTR2CHTR2BHTR2ASLC6A4SRD5A1
SCHEMBL3118450 0.78 KDM4E (0.47) HTR2AHTR1AARMEN1KMT2A
SCHEMBL3726820 0.78 ESR2 (0.46) SLC6A4HTR1ASLC6A2MEN1KMT2A
SCHEMBL13283736 0.78 PNMT (0.50) HTR2CHTR2BHTR2AADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264876-B Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation 延安大学 2022-11-29 — — CN disclosed
CN-113264876-A Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation 延安大学 2021-08-17 — — CN disclosed
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