SCHEMBL11847454

SCHEMBL11847454

CN(C)CC1CCCN1C1c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 19/20 0.45
▸ HTR2A P28223 17/20 0.45
▸ HRH1 P35367 8/20 0.45
▸ DRD2 P14416 6/20 0.39
▸ ADRA2A P08913 5/20 0.39
▸ ADRA2C P18825 5/20 0.39
▸ HTR7 P34969 5/20 0.39
▸ DRD3 P35462 5/20 0.39
▸ DRD1 P21728 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL11841207 0.96 HTR2C (0.44) HTR2CHTR2AHRH1DRD2ADRA2A
SCHEMBL11845578 0.83 NPSR1 (0.40) HTR2CHTR2AHRH1KDM4EUSP2
SCHEMBL11845059 0.81 PGR (0.38) HTR2AHRH1KDM4EUSP2MAPT
SCHEMBL11843939 0.79 KDM4E (0.38) KDM4EUSP2MAPTTSHR
SCHEMBL11847447 0.71 TSHR (0.46) KDM4EUSP2MAPTTSHR
SCHEMBL11845163 0.70 KDM4E (0.41) KDM4EUSP2MAPTTSHR
SCHEMBL11855903 0.69 KDM4E (0.43) HTR2CHTR2AHRH1DRD2ADRA2A
SCHEMBL11845266 0.68 CYP1A2 (0.42) HTR2CHTR2AHRH1KDM4EUSP2
SCHEMBL11841202 0.68 KDM4E (0.48) KDM4EUSP2MAPTTSHR
SCHEMBL11843347 0.67 USP2 (0.44) HTR2CHTR2AHRH1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 — — US disclosed
Send feedback