Ritanserin

Ritanserin

SCHEMBL11034762

Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Ritanserin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A known ✓ P08908 3/20 0.90
▸ MEN1 known ✓ O00255 2/20 0.90
▸ HTR2C known ✓ P28335 2/20 0.90
▸ KMT2A known ✓ Q03164 2/20 0.90
▸ DRD2 known ✓ P14416 2/20 0.90
▸ HTR2A known ✓ P28223 2/20 0.90
▸ ADRB2 known ✓ P07550 1/20 0.90
▸ ADRA2A known ✓ P08913 1/20 0.90
▸ ADRA2B known ✓ P18089 1/20 0.90
▸ ADRA2C known ✓ P18825 1/20 0.90
▸ DRD1 known ✓ P21728 1/20 0.90
▸ SLC6A2 known ✓ P23975 1/20 0.90
▸ SLC6A4 known ✓ P31645 1/20 0.90
▸ ADRA1A known ✓ P35348 1/20 0.90
▸ HRH1 known ✓ P35367 1/20 0.90
▸ ADRA1B known ✓ P35368 1/20 0.90
▸ MTOR known ✓ P42345 1/20 0.90
▸ SLC6A3 known ✓ Q01959 1/20 0.90
▸ MAPT P10636 4/20 0.90
▸ CYP2D6 P10635 3/20 0.90

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
Ritanserin SCHEMBL49227 0.95 MAPT (1.00) MAPTCYP2D6TSHRDGKAPKM
Ritanserin SCHEMBL10598671 0.94 MAPT (0.98) MAPTCYP2D6TSHRDGKAPKM
SCHEMBL316891 0.93 MAPT (1.00) MAPTCYP2D6TSHRDGKAPKM
Hydrochloric Acid SCHEMBL10598175 0.92 MAPT (0.98) MAPTCYP2D6TSHRDGKAPKM
Ritanserin SCHEMBL11084334 0.91 MAPT (0.93) MAPTCYP2D6TSHRDGKAPKM
Ritanserin SCHEMBL11084340 0.91 MAPT (0.93) MAPTCYP2D6TSHRDGKAPKM
Ritanserin SCHEMBL10842786 0.91 MAPT (0.88) MAPTCYP2D6TSHRDGKAPKM
Hydrochloric Acid SCHEMBL10845530 0.88 MAPT (0.87) MAPTCYP2D6TSHRDGKAPKM
Ritanserin SCHEMBL8430142 0.81 MAPT (0.73) MAPTCYP2D6TSHRDGKAPKM
SCHEMBL10919317 0.80 HTR2C (0.73) MAPTCYP2D6TSHRDGKAPKM

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
US-4533665-A SEROTONIN ANTAGONIST JANSSEN PHARMACEUTICA (BE) 1985-08-06 — — US disclosed
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