SCHEMBL5544076

SCHEMBL5544076

CC1(C)CC(C)(C)CC(C)(NCCCC#N)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
GBA1 P04062 1/20 0.32

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
SCHEMBL2563796 0.76 DPP4 (0.40) TSHR
SCHEMBL11544255 0.71
SCHEMBL14444424 0.70
SCHEMBL466074 0.66 GRIN2D (0.35)
SCHEMBL18133277 0.65
SCHEMBL15229723 0.64 CYP1A2 (0.35) TSHR
SCHEMBL97294 0.63
SCHEMBL22142922 0.63 OPRL1 (0.37) TSHR
SCHEMBL1707503 0.62 TSHR (0.45) TSHRGBA1
SCHEMBL11140684 0.60 TSHR (0.43) TSHRGBA1

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-1228052-B1 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS MERZ PHARMA GMBH & CO KGAA (DE) 2007-05-02 EP disclosed
EP-1228052-A1 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS Merz Pharmaceuticals GmbH (DE) 2002-08-07 EP disclosed
WO-2001032640-A1 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS MERZ PHARMACEUTICALS GMBH (DE) 2001-05-10 WO 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