SCHEMBL7530239

SCHEMBL7530239

[c]1ccc(CN2CCOCCCCCOCCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KCNJ1 P48048 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NCF1 P14598 1/20 0.44
CYP2A13 Q16696 2/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL7568331 0.93 HRH3 (0.63) HRH3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL60705 0.91 HRH3 (0.66) HRH3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL27778712 0.85 HRH3 (0.58) HRH3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL3133899 0.81 HRH3 (0.79) HRH3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL447560 0.80 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1KDM4ENCF1
SCHEMBL996532 0.80 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1KDM4ENCF1
SCHEMBL28282914 0.78 HRH3 (0.68) HRH3SMN1; SMN2ALDH1A1KDM4ENCF1
SCHEMBL738784 0.78 HRH3 (0.67) HRH3SMN1; SMN2ALDH1A1KDM4ENCF1
SCHEMBL7356340 0.78 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL15467001 0.78 HRH3 (0.87) HRH3SMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543126-A 2002-12-17 JP claimed
EP-1189609-A4 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP claimed
EP-1189609-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-27 EP claimed
WO-2000066112-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-09 WO claimed