SCHEMBL13374358

SCHEMBL13374358

CC(C)(C)C1CCN(Cc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.67
▸ HTR1A P08908 3/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ OPRL1 P41146 1/20 0.52
▸ SOS1 Q07889 1/20 0.51
▸ SLC6A4 P31645 3/20 0.50
▸ DRD2 P14416 2/20 0.50
▸ DRD4 P21917 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ GPR84 Q9NQS5 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ PDE2A O00408 1/20 0.47

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
SCHEMBL14375346 0.86 MPO (0.72) MPOHTR1AOPRM1OPRK1OPRL1
SCHEMBL13375737 0.84 MPO (0.69) MPOHTR1AOPRM1OPRK1OPRL1
SCHEMBL5170221 0.82 MPO (0.77) MPOHTR1ADRD2DRD4DRD3
SCHEMBL13499605 0.81 MPO (1.00) MPOHTR1ASLC6A4DRD2DRD4
SCHEMBL9635445 0.79 MPO (0.73) MPOHTR1ASLC6A4DRD2DRD4
SCHEMBL13374368 0.78 KDM4E (0.60) HTR2A
SCHEMBL13374349 0.76 ACHE (0.48) DRD2DRD4
SCHEMBL6695064 0.72 DRD2 (0.67) MPOHTR1ASLC6A4DRD2DRD4
SCHEMBL5198405 0.72 DRD2 (0.71) MPOHTR1ASLC6A4DRD2DRD4
SCHEMBL13499597 0.72 SLC6A4 (0.69) MPOHTR1ASLC6A4MAPK1

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-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 — — US disclosed
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