SCHEMBL27469621

SCHEMBL27469621

CCC1(C=O)C=C(N2CCNCC2)C(C)(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27470109 0.72 ALDH1A1 (0.33) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL27549964 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27472020 0.66 ALDH1A1 (0.34) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL27488616 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4273459 0.64 ALDH1A1 (0.47) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL27472474 0.62
SCHEMBL27472025 0.60 MAPT (0.33) ALDH1A1
SCHEMBL4276987 0.56 ALDH1A1 (0.45) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL4207938 0.55
SCHEMBL4272414 0.55 ALDH1A1 (0.41) ALDH1A1

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
CN-100430049-C Depressant of functions developed by molecule SHOZO KOYAMA (JP) 2008-11-05 CN disclosed
CN-1162918-A Depressant of functions developed by molecule KOYAMA SHOZO (JP) 1997-10-22 CN disclosed