SCHEMBL9870941

SCHEMBL9870941

CN1CCCC(CC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD1 P21728 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL11855492 0.87 KDM2B (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11864046 0.86 L3MBTL1 (0.56) KMT2A
SCHEMBL11864468 0.85 GFER (0.51) HTR2AKCNH2TSHR
SCHEMBL7383749 0.85 DRD2 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11862797 0.85 KDM2B (0.52)
SCHEMBL9870507 0.84 DRD2 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11864197 0.84 KMT2A (0.49) KMT2AHRH3HTTSMN1; SMN2SLC6A3
SCHEMBL11863400 0.83 KMT2A (0.56) KMT2AMEN1HTT
SCHEMBL11865008 0.83 KMT2A (0.45) KMT2AMEN1
SCHEMBL9870458 0.83 DRD2 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962257-A 3-PHENACYLPIPERIDINES ELI LILLY AND COMPANY (US) 1976-06-08 US claimed
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed
US-3962257-A 3-PHENACYLPIPERIDINES ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed