SCHEMBL7024843

SCHEMBL7024843

O=C(C1CC1)n1ccc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.58
NPY4R P50391 1/20 0.58
NOTUM Q6P988 1/20 0.58
TSHR P16473 2/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ELANE P08246 3/20 0.45
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL31435509 1.00 TFPI2 (0.58) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL15134007 0.77 PRKCI (0.45) TFPI2NPY4RELANE
SCHEMBL25382918 0.77 TFPI2 (0.43) TFPI2NPY4RELANEHSD17B10TP53
SCHEMBL14220747 0.77 TFPI2 (0.62) TFPI2NPY4RTSHRRAB9AELANE
SCHEMBL4620387 0.77 ELANE (0.41) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL1151123 0.77 NOTUM (0.70) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL10477477 0.77 NOTUM (0.70) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL2078057 0.76 NOTUM (0.59) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL9570724 0.76 ADRA1A (0.46) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL931955 0.75 TSHR (0.69) TFPI2NPY4RNOTUMTSHRRAB9A

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-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 EP disclosed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 WO disclosed