SCHEMBL14760423

SCHEMBL14760423

NC(=O)C1(C2CCc3ccccc3N2)CCC1Cc1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
SMYD3 Q9H7B4 1/20 0.35
MASP2 O00187 1/20 0.33
F2 P00734 1/20 0.33
PTK2B Q14289 1/20 0.33
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL515942 0.72 SMYD3 (0.36) MTNR1ASMYD3MASP2F2PTK2B
SCHEMBL515941 0.72 SMYD3 (0.36) MTNR1ASMYD3MASP2F2PTK2B
SCHEMBL516119 0.67 OPRM1 (0.35) MTNR1ASMYD3PTK2B
SCHEMBL515959 0.67 OPRM1 (0.35) SMYD3
SCHEMBL515960 0.67 OPRM1 (0.35) SMYD3
SCHEMBL516721 0.67 HTR1A (0.35) MTNR1ASMYD3MASP2F2PTK2B
SCHEMBL516720 0.67 HTR1A (0.35) MTNR1ASMYD3MASP2F2PTK2B
SCHEMBL516120 0.67 OPRM1 (0.35) MTNR1ASMYD3PTK2B
SCHEMBL515725 0.65 RIPK1 (0.35) SMYD3PTK2B
SCHEMBL1268909 0.62 SMYD3 (0.59) MTNR1ASMYD3MASP2F2PTK2B

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
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP claimed