SCHEMBL7813461

SCHEMBL7813461

Fc1ccc(N2CCC(Cc3ccccc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.52
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7824827 0.78 SLC6A2 (0.58) HRH3MAPTALDH1A1KDM4ELMNA
SCHEMBL13272386 0.75 ATM (0.50) ATMALDH1A1DRD2HTR2AHRH1
SCHEMBL23022739 0.74 ATM (0.51) ATMALDH1A1DRD2HTR2AHRH1
SCHEMBL3303532 0.74 HRH3 (0.52) HRH3MAPTALDH1A1KDM4ELMNA
SCHEMBL3301450 0.74 BPTF (0.54) HRH3MAPTALDH1A1KDM4ELMNA
SCHEMBL17856803 0.74 CYP2A13 (0.50) ATMDRD2HTR2AHRH1KMT2A
Hydrochloric Acid SCHEMBL7403695 0.73 TMEM97 (0.57) ATMDRD2HTR2AHRH1
SCHEMBL20502324 0.73 CYP2C9 (0.53) ATMDRD2HTR2AHRH1KMT2A
SCHEMBL22532645 0.73 KDM4E (0.53) HRH3MAPTALDH1A1KDM4EGRIN1
SCHEMBL22532691 0.73 HRH3 (0.52) HRH3MAPTALDH1A1KDM4EGRIN1

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-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — WO disclosed
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