SCHEMBL7744542

SCHEMBL7744542

CCOC(=O)C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
OPRK1 P41145 7/20 0.51
KCNH2 Q12809 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ATM Q13315 1/20 0.51
OPRM1 P35372 2/20 0.50
CCR8 P51685 1/20 0.50
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
Hydrochloric Acid SCHEMBL30028803 0.99 ALDH1A1 (0.52) ALDH1A1PKMNPSR1OPRK1KCNH2
SCHEMBL8912103 0.95 L3MBTL1 (0.56) ALDH1A1PKMNPSR1OPRK1L3MBTL1
SCHEMBL8914329 0.88 ALDH1A1 (0.47) ALDH1A1PKMNPSR1OPRK1L3MBTL1
SCHEMBL915985 0.88 ALDH1A1 (0.50) ALDH1A1PKMNPSR1L3MBTL1ATM
SCHEMBL30029574 0.87 OPRK1 (0.49) ALDH1A1PKMNPSR1OPRK1L3MBTL1
SCHEMBL4524255 0.86 SLC6A4 (0.57) OPRK1KCNH2L3MBTL1KMT2AUSP2
SCHEMBL15934617 0.83 OPRK1 (0.48) ALDH1A1PKMNPSR1OPRK1KCNH2
SCHEMBL21159397 0.83 OPRK1 (0.48) ALDH1A1PKMNPSR1OPRK1KCNH2
SCHEMBL29638013 0.83 OPRK1 (0.48) ALDH1A1PKMNPSR1OPRK1KCNH2
SCHEMBL29641135 0.83 OPRK1 (0.48) ALDH1A1PKMNPSR1OPRK1KCNH2

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
US-6221879-B1 8-azabicyclo[3.2.1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors SANOFI-SYNTHELABO (FR) 2001-04-24 US disclosed