SCHEMBL8539768

SCHEMBL8539768

CSc1ccc(C2CCCC3CN(C)CC32)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL20420351 0.82 TACR1 (0.42) SLC6A4SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL8546489 0.81 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL8541939 0.81 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL8541943 0.81 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL8967406 0.81 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL8900770 0.78 MEN1 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL8544813 0.72 DRD1 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL8544809 0.72 DRD1 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL8544812 0.72 DRD1 (0.43) SLC6A4SLC6A2SLC6A3
Fumaric Acid SCHEMBL8545846 0.72 MEN1 (0.41) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690842-B1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMA CORP (US) 1998-12-16 EP disclosed
US-5508424-A REDUCED SIDE EFFECTS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed