SCHEMBL4283603

SCHEMBL4283603

CCC(CCNC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
EPHX2 P34913 6/20 0.34
LMNA P02545 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
SCHEMBL5567492 0.89 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1ATM
SCHEMBL6052997 0.87 EPHX2 (0.39) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL4282405 0.81 KMT2A (0.37) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL658754 0.77 GRIN2D (0.53) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL5569530 0.76 KMT2A (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL60897 0.69 GRIN2D (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1GRIN2D
SCHEMBL11807192 0.69 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1EPHX2LMNA
SCHEMBL3188537 0.69 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12226580 0.67 EPHX2 (0.39) KMT2ASMN1; SMN2EPHX2LMNA
SCHEMBL4290590 0.67 EPHX2 (0.48) KMT2AMEN1SMN1; SMN2GRIN2DGRIN3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156161-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AMINOADAMANTANE DERIVATIVES MERZ PHARMA GMBH & CO. KGAA (DE) 2009-12-30 WO disclosed
EP-1732530-A1 1-AMINOVYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF AGITATION AND OTHER BEHAVIORAL DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH ALZHEIMER'S DISEASE Merz Pharma GmbH & Co.KGaA (DE) 2006-12-20 EP disclosed
EP-1682109-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC AS PEPTIDES IN AMYLOIDOPATHIES Merz Pharma GmbH & Co. KGaA (DE) 2006-07-26 EP disclosed
WO-2005084655-A1 1-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF AGITATION AND OTHER BEHAVIORAL DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH ALZHEIMER’S DISEASE MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-15 WO disclosed
WO-2005079779-A1 THE USE OF 1-AMINOCYCLOHEXANE DERIVATIVES TO MODIFY DEPOSITION OF FIBRILLOGENIC Aß PEPTIDES IN AMYLOIDOPATHIES MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-01 WO disclosed