SCHEMBL9037154

SCHEMBL9037154

[CH2]CCCCCc1nccnc1OCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.39
CHRM2 P08172 1/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL20873451 0.78 CCNB2 (0.39)
SCHEMBL674404 0.76 CYP2D6 (0.38) CHRM1
SCHEMBL27818098 0.75 TDP1 (0.45) CHRM1CHRM2LMNASMN1; SMN2
SCHEMBL1074604 0.73 TDP1 (0.47) CHRM1CHRM2LMNA
SCHEMBL997911 0.71 CYP2D6 (0.39) CHRM1NPC1LMNA
SCHEMBL28521019 0.70 TLR8 (0.41) NFKB1NFKB2RELANPC1LMNA
SCHEMBL9042054 0.69 CHRM1 (0.47) CHRM1CHRM2
SCHEMBL10496018 0.69 TDP1 (0.40) CHRM1CHRM2LMNA
SCHEMBL293478 0.69 TDP1 (0.40) CHRM1CHRM2LMNA
SCHEMBL7324144 0.69 NR5A1 (0.66) NPC1LMNA

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
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed