SCHEMBL28160482

SCHEMBL28160482

COCC(C)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HRH1 P35367 2/20 0.49
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RAD52 P43351 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
DRD3 P35462 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL91107 0.83 ALDH1A1 (0.50) DRD2HTR2AHRH1MAPTALDH1A1
SCHEMBL1991688 0.81 MAPT (0.50) DRD2HTR2AHRH1MAPTALDH1A1
SCHEMBL21815733 0.81 KDM4E (0.45) DRD2HTR2AHRH1MAPTALDH1A1
SCHEMBL188731 0.78 KDM4E (0.61) MAPTALDH1A1KDM4EPKMHRH3
SCHEMBL1126955 0.76 MAPT (0.57) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1814737 0.74 DRD2 (0.47) DRD2HTR2AHRH1KMT2AMEN1
SCHEMBL5795262 0.73
SCHEMBL20548927 0.73 DRD2 (0.40) DRD2HTR2AHRH1MAPTALDH1A1
SCHEMBL28474231 0.71 MAPT (0.41) DRD2MAPTALDH1A1KDM4EPKM
SCHEMBL26922761 0.70 KCNH2 (0.45) DRD2HTR2AHRH1ALDH1A1KDM4E

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-106928198-A Sulfamide derivative and preparation method and application 成都先导药物开发有限公司 2017-07-07 CN disclosed