SCHEMBL7893289

SCHEMBL7893289

OC1CC2CC1CC2Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
GLS O94925 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HRH1 P35367 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX7 Q99572 1/20 0.35
MAPT P10636 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL6984252 0.76 KDM4E (0.40) KDM4ELTB4RLTB4R2GLSKDM1A
SCHEMBL29950596 0.74 HPGD (0.43) GLSSMN1; SMN2NPC1
SCHEMBL28953834 0.74 HPGD (0.43) GLSSMN1; SMN2NPC1
SCHEMBL7893294 0.74 ALDH1A1 (0.38) KDM4ELTB4RLTB4R2GLSKDM1A
SCHEMBL11541050 0.73 CYP19A1 (0.40) LTB4RLTB4R2HRH1SMN1; SMN2MAPT
SCHEMBL11541062 0.73 CYP19A1 (0.40) LTB4RLTB4R2HRH1SMN1; SMN2MAPT
SCHEMBL11541056 0.73 CYP19A1 (0.40) LTB4RLTB4R2HRH1SMN1; SMN2MAPT
SCHEMBL16269835 0.73 HRH3 (0.43) LTB4RLTB4R2KDM1AMAOAMAOB
SCHEMBL8091807 0.73 HRH3 (0.43) LTB4RLTB4R2KDM1AMAOAMAOB
SCHEMBL8094726 0.73 HRH3 (0.43) LTB4RLTB4R2KDM1AMAOAMAOB

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
EP-0900204-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-03-21 EP disclosed
US-6124312-A ACTIVE DRUG FOR TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-09-26 US disclosed
EP-0900204-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
WO-1997040016-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed