SCHEMBL7474572

SCHEMBL7474572

Cc1ccnc(N2CCN(C3CCC(O)CC3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 1/20 0.49
▸ KDM4E B2RXH2 11/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SLC6A7 Q99884 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ ACHE P22303 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7899054 1.00 SORD (0.49) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7900349 1.00 SORD (0.49) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15345017 0.93 SORD (0.51) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7467116 0.82 KDM4E (0.51) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27810118 0.81 KDM4E (0.53) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7897457 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL7469756 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL15344975 0.80 SORD (0.48) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15345159 0.76 SORD (0.52) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7463955 0.75 KDM4E (0.41) SORDKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023273-B1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-05 — — EP disclosed
US-6191130-B1 HYPOTENSIVE AGENTS; THERAPY FOR SEXUAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS PIERRE FABRE MEDICAMENT (FR) 2001-02-20 — — US disclosed
EP-1023273-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 — — EP disclosed
WO-1999020613-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 — — WO disclosed
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