SCHEMBL5802152

SCHEMBL5802152

C[C@@H]1CN(CC2CCC2c2ccc(CN3CCCC3)cc2)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
HRH4 Q9H3N8 1/20 0.39
NCF1 P14598 1/20 0.38
LTA4H P09960 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR5 P51681 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
SCHEMBL5788516 0.79 HRH3 (0.67) HRH3HRH4NCF1LTA4HALDH1A1
SCHEMBL5790680 0.79 HRH3 (0.67) HRH3HRH4NCF1LTA4HALDH1A1
SCHEMBL5788519 0.79 HRH3 (0.67) HRH3HRH4NCF1LTA4HALDH1A1
SCHEMBL12383 0.67 ALDH1A1 (0.55) HRH3HRH4ALDH1A1KDM4E
SCHEMBL10872018 0.67 DRD2 (0.38) KDM4E
SCHEMBL10691883 0.66 SIGMAR1 (0.52) ALDH1A1KDM4E
SCHEMBL9163392 0.66 KDM4E (0.53) HRH3HRH4ALDH1A1KDM4E
SCHEMBL4148981 0.66 KDM4E (0.53) HRH3HRH4ALDH1A1KDM4E
SCHEMBL22711368 0.66 KDM4E (0.53) HRH3HRH4ALDH1A1KDM4E
SCHEMBL12156566 0.66 KDM4E (0.53) HRH3HRH4ALDH1A1KDM4E

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-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP claimed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed