Clozapine

Clozapine

SCHEMBL20876213

CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1.CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1.CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1.CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1.CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2HTR2A

The experimentally established mechanism targets of Clozapine. 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
DRD2 known ✓ P14416 10/20 1.00
HTR2A known ✓ P28223 1/20 1.00
CHRM1 P11229 9/20 1.00
DRD4 P21917 7/20 1.00
DRD1 P21728 4/20 1.00
HRH4 Q9H3N8 4/20 1.00
DRD3 P35462 3/20 1.00
CYP1A2 P05177 2/20 1.00
CHRM2 P08172 2/20 1.00
CHRM4 P08173 2/20 1.00
CYP3A4 P08684 2/20 1.00
CHRM5 P08912 2/20 1.00
CYP2D6 P10635 2/20 1.00
CHRM3 P20309 2/20 1.00
KCNH2 Q12809 2/20 1.00
HTR3E A5X5Y0 1/20 1.00
MEN1 O00255 1/20 1.00
CACNA1F O60840 1/20 1.00
HTR3B O95264 1/20 1.00
ABCB11 O95342 1/20 1.00

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
Clozapine SCHEMBL8397 1.00 DRD2 (1.00) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL29360001 1.00 DRD2 (1.00) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL5501558 1.00 DRD2 (1.00) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL29590817 1.00 DRD2 (1.00) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL29433929 1.00 DRD2 (1.00) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL28700741 0.99 DRD2 (0.98) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL28648626 0.99 DRD2 (0.98) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL29180214 0.99 DRD2 (0.98) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL140458 0.99 DRD2 (0.98) DRD2CHRM1DRD4DRD1HRH4
Clozapine SCHEMBL29041024 0.99 DRD2 (0.98) DRD2CHRM1DRD4DRD1HRH4

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
EP-3691651-A1 STABLE SOLUTIONS OF MULTICYCLIC ANTIDEPRESSANTS Leyden Technologies B.V. (NL) 2020-08-12 EP disclosed
WO-2019068859-A1 STABLE SOLUTIONS OF MULTICYCLIC ANTIDEPRESSANTS LEYDEN TECHNOLOGIES B.V. (NL) 2019-04-11 WO disclosed