SCHEMBL6606927

SCHEMBL6606927

OCCCCCCCCOc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6609228 1.00 GRM2 (0.42) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL6608831 1.00 GRM2 (0.42) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL6611157 1.00 GRM2 (0.42) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL6603081 0.98 GRM2 (0.43) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL4495520 0.92 ALDH1A1 (0.42) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL2416582 0.86 ALDH1A1 (0.50) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL30402955 0.86 ALDH1A1 (0.50) GRM2ALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL4190714 0.81 KDM4E (0.50) ALDH1A1NPC1CYP2D6CYP2C19KDM4E
SCHEMBL4885285 0.81 SOAT1 (0.49) ALDH1A1NPC1CYP2D6CYP2C19KDM4E
SCHEMBL21494430 0.81 SOAT1 (0.49) ALDH1A1NPC1CYP2D6CYP2C19KDM4E

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-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-B1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO LTD (JP) 2004-03-24 EP disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed