SCHEMBL8946114

SCHEMBL8946114

Nc1c(C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)ccc(F)c1I

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.66
▸ SLC18A2 Q05940 4/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ HPGD P15428 3/20 0.66
▸ SLC6A3 Q01959 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ HTR1A P08908 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ DRD2 P14416 2/20 0.66
▸ HTR2C P28335 2/20 0.66
▸ KCNH2 Q12809 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ ADRA2B P18089 1/20 0.66
▸ ADRA2C P18825 1/20 0.66
▸ DRD1 P21728 1/20 0.66
▸ DRD4 P21917 1/20 0.66

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
SCHEMBL11013116 0.84 HTR2A (0.73) HTR2ASLC18A2CYP3A4HPGDSLC6A3
SCHEMBL9379765 0.80 HTR2A (0.73) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL34294 0.80 HTR2A (1.00) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL4862503 0.80 HTR2A (1.00) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL29361038 0.80 HTR2A (1.00) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL1532014 0.79 HTR2A (0.98) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL30028921 0.79 HTR2A (0.98) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL2030457 0.79 HTR2A (0.98) HTR2ASLC18A2CYP3A4HPGDSLC6A3
SCHEMBL429538 0.78 HTR2A (0.81) HTR2ASLC18A2CYP3A4HPGDSLC6A3
Ketanserin SCHEMBL5614705 0.77 HTR2A (0.94) HTR2ASLC18A2CYP3A4HPGDSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569669-A Alkylaminoindane compounds ADIR ET COMPAGNIE (FR) 1996-10-29 — — US disclosed
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 — — US disclosed
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 — — US disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 — — US disclosed
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