SCHEMBL9218601

SCHEMBL9218601

CN(C)C1(c2ccccc2Cl)C(=O)Nc2c(Cc3ccc(N)cc3)cc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
HTR6 P50406 3/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAOB P27338 1/20 0.31
MDM2 Q00987 1/20 0.30
PDK2 Q15119 1/20 0.30
OPRK1 P41145 1/20 0.30
GRIN2D O15399 1/20 0.30

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
SCHEMBL9212713 0.81 SIRT2 (0.35)
SCHEMBL9220129 0.81 EGFR (0.39) LMNA
SCHEMBL7466228 0.70 AKR1C3 (0.45) HTR6PDK2
SCHEMBL9219764 0.68 AR (0.36)
SCHEMBL21186239 0.63 ALDH1A1 (0.52) HTR6MAOBLMNA
SCHEMBL7473312 0.61 IDO1 (0.44) HTR6
SCHEMBL9629065 0.61 CYP3A4 (0.48) LMNA
SCHEMBL16849930 0.58 PGR (0.35) HTR6OPRK1OPRM1
SCHEMBL1042000 0.58 PNMT (0.55) HTR6MAOB
SCHEMBL486603 0.57 CYP3A4 (0.65) HTR6MAOB

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