SCHEMBL9212836

SCHEMBL9212836

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)c3cc(Cl)cc4c3NC(=O)C4(NC(=O)CN(C)CC(=O)O)c3ccccc3Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.37
ADRB1 P08588 5/20 0.37
ADRB3 P13945 3/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 3/20 0.35
GHSR Q92847 1/20 0.34
PTPN11 Q06124 4/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
IDO1 P14902 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9218065 0.83 POLB (0.35) ADRB2ADRB1ADRB3POLBMAPT
SCHEMBL7469139 0.82 PTPN11 (0.39) ADRB2ADRB1ADRB3POLBPTPN11
SCHEMBL9220084 0.82 POLB (0.34) ADRB2ADRB1ADRB3POLBMAPT
Trifluoroacetic Acid SCHEMBL8742747 0.79 PTPN11 (0.37) ADRB2ADRB1ADRB3PTPN11
SCHEMBL9221585 0.79 GPR119 (0.47) TSHR
Water SCHEMBL8742754 0.74 PTPN11 (0.36) MAPTPTPN11USP2ALDH1A1TSHR
SCHEMBL9219229 0.72 NPSR1 (0.43) MAPT
SCHEMBL7470458 0.71 PTPN11 (0.40) POLBMAPTPTPN11LMNATHRB
SCHEMBL9215473 0.69 NPSR1 (0.38) MAPTLMNAALDH1A1
SCHEMBL9218048 0.69 ABCC9 (0.39) MAPTLMNAALDH1A1

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-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed