SCHEMBL5246348

SCHEMBL5246348

CN1CCCC(N(C)c2nc3ccccc3s2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
CXCR3 P49682 2/20 0.48
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5247026 0.92 EBP (0.62) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL5244816 0.84 EBP (0.58) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL3746702 0.83 SIGMAR1 (0.42) EBPSIGMAR1CXCR3KDM4ENPC1
SCHEMBL3741896 0.79 RAB9A (0.49) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL9774919 0.78 SMN1; SMN2 (0.53) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL10376284 0.78 EBP (0.89) EBPSIGMAR1CXCR3NPC1RAB9A
SCHEMBL10377126 0.78 EBP (0.55) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL10377125 0.78 EBP (0.55) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL9774901 0.76 EBP (0.61) EBPSIGMAR1CXCR3LMNAMAPK1
SCHEMBL10375146 0.76 EBP (0.78) EBPSIGMAR1NPC1RAB9ATSHR

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-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed