SCHEMBL9727457

SCHEMBL9727457

c1ccc(CC2COCC3CNCCN32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.54
SLC6A4 P31645 10/20 0.54
SLC6A3 Q01959 10/20 0.54
MITF O75030 1/20 0.42
AGTR2 P50052 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8791548 0.78 HSD11B1 (0.44) AGTR2
SCHEMBL3724429 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MITFAGTR2
SCHEMBL4237634 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MITFAGTR2
SCHEMBL8186149 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL8188286 0.72 AGTR2 (0.48) SLC6A2SLC6A4SLC6A3AGTR2
SCHEMBL6926417 0.71 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL14920544 0.71 SLC6A4 (0.65) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL22285003 0.71 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL29022140 0.71 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL10413244 0.71 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MITFCA1

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-5166203-A QUINOLINECARBOXYLIC ACID DERIVATIVES, ANTIBACTERIAL AGENT CONTAINING THE SAME KANEBO, LTD. (JP) 1992-11-24 US disclosed