SCHEMBL7360905

SCHEMBL7360905

CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.81
HTR2C P28335 4/20 0.81
HTR3A P46098 4/20 0.81
HTR3E A5X5Y0 1/20 0.81
HTR3B O95264 1/20 0.81
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
HTR3D Q70Z44 1/20 0.81
HTR3C Q8WXA8 1/20 0.81
ADRA2C P18825 4/20 0.80
ADRA1A P35348 4/20 0.80
HTR1D P28221 3/20 0.80
HTR2B P41595 3/20 0.80
ADRA2A P08913 2/20 0.80
HTR2A P28223 2/20 0.80
LMNA P02545 1/20 0.80
THRB P10828 1/20 0.80
HRH1 P35367 1/20 0.80

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
Hydrochloric Acid SCHEMBL6776352 0.99 HTR2C (0.82) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7248493 0.94 HTR2C (0.79) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL1041174 0.90 HTR4 (1.00) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL2938877 0.89 HTR2C (1.00) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7705732 0.88 HTR4 (0.63) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7705730 0.88 HTR4 (0.63) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7888555 0.85 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL505612 0.84 HTR4 (0.64) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL6776086 0.84 HTR4 (0.58) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7357759 0.83 HTR4 (0.63) HTR4HTR2CHTR3AHTR3EHTR3B

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
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO claimed
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed