SCHEMBL16239652

SCHEMBL16239652

O=S1(=O)CCN(C2CCN(c3ccc(N4CCNc5ccccc54)nc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
ADRA1A P35348 2/20 0.37
RORC P51449 1/20 0.37
OPRL1 P41146 5/20 0.35
OPRM1 P35372 3/20 0.35
ACVR1 Q04771 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTPN11 Q06124 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
PIM1 P11309 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32

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
Hydrochloric Acid SCHEMBL8512587 0.99 HSD11B1 (0.45) HSD11B1ADRA1ARORCOPRL1OPRM1
SCHEMBL8511579 0.80 HSD11B1 (0.72) HSD11B1ADRA1ARORC
SCHEMBL1159359 0.78 MKNK1 (0.39) HSD11B1OPRL1OPRM1MKNK1MKNK2
SCHEMBL974412 0.77 HSD11B1 (0.51) HSD11B1MKNK1MKNK2
SCHEMBL1160741 0.74 HSD11B1 (0.46) HSD11B1MKNK1MKNK2PTPN11PIM1
SCHEMBL974634 0.73 KDM4E (0.47) HSD11B1MKNK1MKNK2PTPN11MAPT
SCHEMBL8509465 0.73 PTPN11 (0.42) HSD11B1OPRL1OPRM1MKNK1MKNK2
SCHEMBL8511584 0.73 HSD11B1 (0.41) HSD11B1MKNK1MKNK2PTPN11PIM1
SCHEMBL8509241 0.72 PTPN11 (0.41) HSD11B1OPRL1OPRM1MKNK1MKNK2
SCHEMBL8511069 0.72 HSD11B1 (0.43) HSD11B1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459549-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed