SCHEMBL4696614

SCHEMBL4696614

CC(C)(C)SCCCOC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ NPC1 O15118 2/20 0.31

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
SCHEMBL4698870 0.88 LMNA (0.43) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL16244135 0.77 — —
SCHEMBL12286307 0.76 TSHR (0.57) TSHRHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL9883725 0.74 SMN1; SMN2 (0.36) LMNAHTR1ATSHRCYP2C19DRD2
SCHEMBL13617276 0.72 ALOX15 (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2745809 0.72 LMNA (0.52) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2746597 0.72 TSHR (0.52) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL23039200 0.72 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099112 0.72 CHRNB2 (0.44) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL11287294 0.71 ALOX15 (0.46) LMNACHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 — — EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 — — WO disclosed
Send feedback