SCHEMBL8530249

SCHEMBL8530249

Fc1cccc(C2[CH]CCCN2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
P2RX7 Q99572 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
RIPK1 Q13546 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL8530683 0.80 KDM1A (0.42) HTR2AHTR2CHTR2BKDM4EKDM1A
SCHEMBL7480391 0.79 PRCP (0.38) HTR2AHTR2CHTR2BKDM1A
SCHEMBL8533494 0.79 PRCP (0.38) HTR2AHTR2CHTR2BKDM1A
SCHEMBL6227686 0.78 SLC18A3 (0.38) HTR2BKDM4E
SCHEMBL472003 0.78 SLC18A3 (0.38) HTR2BKDM4E
SCHEMBL8531757 0.78 KDM1A (0.37) HTR2AHTR2CHTR2BKDM1A
SCHEMBL8530406 0.74 SLC6A2 (0.35) RIPK1
SCHEMBL3503155 0.72 CHRNB2 (0.53) HCRTR2CA1
SCHEMBL433220 0.72 CHRNB2 (0.53) HCRTR2CA1
SCHEMBL29450150 0.72 CHRNB2 (0.53) HCRTR2CA1

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