SCHEMBL27467342

SCHEMBL27467342

CN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1.Nc1ccc2c(c1)C1CC21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.60
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTR1A P08908 1/20 0.50
ALOX15 P16050 1/20 0.50
HTR6 P50406 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1D P28221 1/20 0.47
NOS1 P29475 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NOS3 P29474 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOS2 P35228 1/20 0.45

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
SCHEMBL27481799 0.93 SLC6A4 (0.72) SLC6A4
SCHEMBL4670751 0.85 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL12285207 0.82 SLC6A4 (0.67) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL27515398 0.82 SLC6A4 (0.52) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL27465899 0.77 HTR1D (0.60) SLC6A4KDM4EHTR1AHTR6HTR1D
SCHEMBL7479356 0.76 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL3130981 0.76 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
Ammonia Solution, Strong SCHEMBL1122493 0.75 SLC6A4 (0.74) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL6802859 0.73 HTR1D (0.49) SLC6A4KDM4ELMNAHTR1AALOX15
SCHEMBL6600009 0.73 HTR1A (0.49) SLC6A4HTR1AHTR6HTR1D

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
CN-1154105-A 4-aryl-1-(indanmethyl, dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines, tetrahydropyridines or piperazines LUNDBECK & CO AS H (DK) 1997-07-09 CN disclosed