SCHEMBL10922860

SCHEMBL10922860

c1ccc(Sc2cccc3c2CCNCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.48
▸ HTR1A P08908 5/20 0.47
▸ HTR3A P46098 5/20 0.47
▸ PRCP P42785 1/20 0.45
▸ PNMT P11086 2/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ CD44 P16070 2/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL11038468 0.75 ADRA2A (0.51) MAOB
SCHEMBL10701614 0.70 HTR2C (0.55) HTR2CHTR1AHTR3APNMTHTR2A
SCHEMBL11407282 0.70 HTR2C (0.40) HTR2CPRCPPNMTHTR2AHTR2B
SCHEMBL9101041 0.69 KDM4E (0.46) HTR1AHTR3APNMTHTR2B
SCHEMBL10704701 0.69 HTR2C (0.50) HTR2CHTR1AHTR3AHTR2AHTR2B
SCHEMBL9810170 0.69 SRC (0.42) HTR2CHTR1AHTR3A
SCHEMBL175146 0.69 HTR2C (1.00) HTR2CPRCPPNMTHTR2AHTR2B
SCHEMBL24265323 0.67 HTR2C (0.56) HTR2CPRCPPNMTHTR2AHTR2B
SCHEMBL20880753 0.67 HTR2C (0.54) HTR2CPRCPPNMTHTR2AHTR2B
SCHEMBL509247 0.67 CD44 (0.75) HTR2CPRCPPNMTHTR2AHTR2B

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-0080012-B1 6-CHLORO-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE, ITS ACID ADDITION SALTS AND ITS USE AS AN INTERMEDIATE SMITHKLINE BECKMAN CORPORATION (US) 1986-04-09 — — EP disclosed
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