SCHEMBL9209710

SCHEMBL9209710

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NC(=O)Oc2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.36
RXFP1 Q9HBX9 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
NAMPT P43490 6/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
RAD51 Q06609 1/20 0.32
ALK Q9UM73 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 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
SCHEMBL9219229 0.91 NPSR1 (0.43) NPSR1GAANAMPTCA12CA1
SCHEMBL9215077 0.86 NPSR1 (0.41) NPSR1GAANAMPTALDH1A1CA12
SCHEMBL9218048 0.85 ABCC9 (0.39) NPSR1GAANAMPTALDH1A1CA12
SCHEMBL9215473 0.85 NPSR1 (0.38) NPSR1GAANAMPTALDH1A1CA12
SCHEMBL9217581 0.83 NPSR1 (0.36) NPSR1GAANAMPTCA12CA1
SCHEMBL9217189 0.83 ABCC9 (0.34) NPSR1GAAALDH1A1CA12CA1
SCHEMBL9218931 0.83 NPSR1 (0.37) NPSR1GAARXFP1NAMPTALDH1A1
SCHEMBL9218026 0.82 NPSR1 (0.39) NPSR1GAANAMPTCA12CA1
SCHEMBL9215385 0.82 NPSR1 (0.37) NPSR1GAANAMPTCA12CA1
SCHEMBL9217130 0.82 NPSR1 (0.37) NPSR1GAANAMPTALDH1A1CA12

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