SCHEMBL7057576

SCHEMBL7057576

CCCC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APEX1 P27695 1/20 0.39
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL20370331 0.89 MAPT (0.51) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL19621118 0.83 LMNA (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1071303 0.78 ALDH1A1 (0.46) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL20370333 0.77 MEN1 (0.55) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL12459980 0.77 MAPT (0.41) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL14407744 0.74 MAPT (0.46) LMNAMAPTALDH1A1MEN1KMT2A
Butane SCHEMBL9547559 0.73 LMNA (0.53) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL178864 0.73 ALDH1A1 (0.42) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL14838496 0.72 ALDH1A1 (0.45) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL107302 0.72 MAPT (0.42) LMNAMAPTALDH1A1MEN1KMT2A

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
EP-1009732-B1 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ & CO GMBH & CO (DE) 2003-05-21 EP disclosed
EP-1009732-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2000-06-21 EP disclosed
US-6071966-A ADMINISTERING TO LIVING ANIMAL 1-AMINOALKYLCYCLOHEXANE COMPOUND FOR ALLEVIATION OF CONDITION WHICH IS ALLEVIATED BY N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST, OR FOR ITS IMMUNOMODULATORY, ANTIMALARIAL, ANTI-BORNA VIRUS EFFECTS MERZ + CO. GMBH & CO. (DE) 2000-06-06 US disclosed
US-6034134-A 1-Amino-alkylcyclohexane NMDA receptor antagonists MERZ + CO. GMBH & CO. (DE) 2000-03-07 US disclosed
WO-1999001416-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GMBH & CO. (DE) 1999-01-14 WO disclosed