SCHEMBL7466977

SCHEMBL7466977

CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2S(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.39
AVPR1B P47901 13/20 0.39
OXTR P30559 3/20 0.39
AVPR2 P30518 2/20 0.39
GPR65 Q8IYL9 1/20 0.39
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Water SCHEMBL8742785 0.99 AVPR1B (0.39) AVPR1AAVPR1BOXTRAVPR2GPR65
Water SCHEMBL8589898 0.99 AVPR1B (0.39) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL7468172 0.91 AVPR1B (0.43) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL3230001 0.91 AVPR1A (0.39) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL7470867 0.90 AVPR1B (0.40) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL7472393 0.88 KMT2A (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7476157 0.88 AVPR1A (0.38) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL7471393 0.85 AVPR1B (0.49) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL3272128 0.81 AVPR1A (0.41) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL3229249 0.81 AVPR1A (0.41) AVPR1AOXTRMAPTMEN1KMT2A

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-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
WO-1995018105-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) 1995-07-06 WO disclosed