SCHEMBL27798296

SCHEMBL27798296

c1ccc([C](c2ccccc2)N2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
ALDH1A1 P00352 5/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 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
SCHEMBL27890355 0.93 HPGD (0.54) HPGDALDH1A1USP2GAAMEN1
SCHEMBL2182275 0.81 HPGD (0.63) HPGDALDH1A1USP2GAAMEN1
SCHEMBL10777394 0.79 ALDH1A1 (0.67) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL436090 0.77 HPGD (1.00) HPGDALDH1A1USP2MAPK1
SCHEMBL8919062 0.77 HPGD (1.00) HPGDALDH1A1USP2MAPK1
SCHEMBL2462255 0.77 HPGD (0.59) HPGDALDH1A1USP2GAAMEN1
SCHEMBL1927946 0.77 HPGD (1.00) HPGDALDH1A1USP2MAPK1
SCHEMBL243236 0.77 HPGD (1.00) HPGDALDH1A1USP2MAPK1
SCHEMBL3731573 0.77 HPGD (0.59) HPGDALDH1A1USP2GAAMEN1
SCHEMBL27929296 0.77 HPGD (1.00) HPGDALDH1A1USP2MAPK1

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-1863513-B Abuse-proofed dosage form GRUENENTHAL GMBH 2013-01-16 CN disclosed
CN-100577150-C Abuse-proof dosage form GRUENENTHAL GMBH 2010-01-06 CN disclosed