Sugi Predict

Sugi Predict / Compounds / SCHEMBL5500490

SCHEMBL5500490

SCHEMBL5500490

C=CCN1CCN(c2cccc(C#N)c2C)CC1.C=CCN1CCN(c2cccc(C(O)C(F)(F)F)c2C#N)CC1.C=CCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.CCCN1CCN(c2cccc(C#N)c2C)CC1.CCCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.CCN1CCN(c2cccc(C#N)c2C)CC1.CCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.COCCN1CCN(c2cccc(C#N)c2C)CC1.COCCN1CCN(c2cccc(C(O)C(F)(F)F)c2C#N)CC1.COCCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.34
▸ DRD2 P14416 14/20 0.34
▸ DRD3 P35462 9/20 0.34
▸ HTR2A P28223 7/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HTR1A P08908 5/20 0.31
▸ DRD1 P21728 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL5503076 0.95 DRD2 (0.38) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5503773 0.87 DRD2 (0.37) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5504389 0.81 DRD2 (0.37) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5509253 0.79 DRD2 (0.44) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL2782274 0.79 DRD2 (0.47) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5525414 0.78 DRD2 (0.39) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5505574 0.78 P2RX7 (0.36) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL5532366 0.78 P2RX7 (0.36) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL2781886 0.77 MAPT (0.41) DRD4DRD2DRD3HTR2AHRH1
SCHEMBL5503520 0.77 DRD2 (0.40) DRD4DRD2DRD3HTR2AHTR1A

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-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 — — EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 — — WO disclosed