SCHEMBL8533494

SCHEMBL8533494

Fc1ccc(C2[CH]CCCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
ATM Q13315 1/20 0.37
KDM1A O60341 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
LTA4H P09960 1/20 0.33
RECQL P46063 1/20 0.33
LIG1 P18858 1/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2B P41595 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL7480391 1.00 PRCP (0.38) PRCPATMKDM1ATDP1LTA4H
SCHEMBL8533774 0.81 MAPT (0.42) PRCPATMKDM1ATDP1HTR2A
SCHEMBL14931991 0.80 HTR2C (0.46) KDM1ALTA4HHTR2C
SCHEMBL8531757 0.80 KDM1A (0.37) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL8530413 0.80 HTR2C (0.46) KDM1ALTA4HHTR2C
SCHEMBL472003 0.80 SLC18A3 (0.38) PRCPSLC6A2HTR2BSLC6A3
SCHEMBL6227686 0.80 SLC18A3 (0.38) PRCPSLC6A2HTR2BSLC6A3
SCHEMBL8530249 0.79 HTR2A (0.37) KDM1AHTR2AHTR2CHTR2B
SCHEMBL8530406 0.76 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6368619 0.72 CHRNB2 (0.50) PRCPATMKDM1ATDP1RECQL

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
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed