SCHEMBL7362682

SCHEMBL7362682

O=C(NC1CN2CCC1CC2)c1cc(Cl)cn2ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 1.00
CHRNA7 P36544 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
ALOX15 P16050 1/20 0.52

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 SCHEMBL7363031 0.99 HTR3A (0.98) HTR3ACHRNA7TSHRALDH1A1CYP1A2
SCHEMBL7360573 0.87 HTR3A (0.77) HTR3ACHRNA7TSHRALDH1A1CYP1A2
SCHEMBL7362191 0.81 HTR3A (0.67) HTR3ACHRNA7
SCHEMBL1761694 0.77 HTR3A (0.62) HTR3AALDH1A1
SCHEMBL6415345 0.76 HTR3A (0.61) HTR3ACHRNA7TSHRALDH1A1CYP1A2
SCHEMBL6418471 0.76 HTR3A (0.61) HTR3ACHRNA7TSHRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6415456 0.75 HTR3A (0.60) HTR3ACHRNA7TSHRALDH1A1CYP1A2
SCHEMBL6419010 0.74 CHRNA7 (0.83) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL9646418 0.74 HTR3A (0.66) HTR3ACHRNA7TSHRKCNH2HTR3E
SCHEMBL7386037 0.74 HTR3A (0.59) HTR3ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP claimed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
WO-2004094418-A1 IMIDAZOPYRIDINE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY AND 5-HT3 RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2004-11-04 WO disclosed