SCHEMBL28087528

SCHEMBL28087528

Cc1ccc(N2CCC(CN(C)C3CCN(C)C3)CC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL3574974 0.82 MAPT (0.46) MCHR1SIGMAR1SMN1; SMN2MAPTGAA
SCHEMBL3566234 0.78 MCHR1 (0.60) MCHR1SMN1; SMN2
SCHEMBL23603454 0.70 SIGMAR1 (0.38) MCHR1SIGMAR1
SCHEMBL24681691 0.69 MCHR1 (0.54) MCHR1MAPT
SCHEMBL24681690 0.69 MCHR1 (0.54) MCHR1MAPT
SCHEMBL10202213 0.69 NCF1 (0.46) HTR2AHTR2C
SCHEMBL4560122 0.69 ADRB1 (0.49) HTR2AADRB1DRD2DRD4DRD3
SCHEMBL26762571 0.69 SIGMAR1 (0.36) MCHR1SIGMAR1
SCHEMBL27978705 0.69 MCHR1 (0.41) HTR2AHTR2CMCHR1
SCHEMBL2092625 0.68 ADRB1 (0.59) ADRB1SMN1; SMN2MAPTGAA

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
CN-104011054-B As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines 森申有限公司 2016-08-24 — — CN disclosed
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