SCHEMBL5085348

SCHEMBL5085348

C[N]C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
IDO1 P14902 3/20 0.46
CYP11B2 P19099 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
BCHE P06276 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR6 P50406 1/20 0.42
SRD5A1 P18405 1/20 0.40

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
SCHEMBL2400656 1.00 PDPK1 (0.50) PDPK1IDO1CYP11B2SIGMAR1MAOA
SCHEMBL2399832 0.88 IDO1 (0.49) PDPK1IDO1ADRA1A
SCHEMBL3944556 0.88 IDO1 (0.49) PDPK1IDO1ADRA1A
SCHEMBL3942510 0.88 IDO1 (0.49) PDPK1IDO1ADRA1A
SCHEMBL29980773 0.83 IDO1 (0.48) PDPK1IDO1CYP11B2SIGMAR1HTR6
SCHEMBL2322453 0.83 IDO1 (0.48) PDPK1IDO1CYP11B2SIGMAR1HTR6
SCHEMBL9144134 0.82 PDPK1 (0.46) PDPK1IDO1CYP11B2SIGMAR1MAOA
SCHEMBL20321008 0.79 IDO1 (0.46) PDPK1IDO1CYP11B2SIGMAR1HTR6
SCHEMBL4185301 0.79 IDO1 (0.46) PDPK1IDO1CYP11B2ADRA1A
SCHEMBL8664434 0.79 IDO1 (0.46) PDPK1IDO1CYP11B2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
US-5401756-A Benzamide platelet activating factor antagonists MITSUBISHI KASEI CORPORATION (JP) 1995-03-28 US disclosed
US-5304556-A Platelet activating factor antagonists MITSUBISHI KASEI CORPORATION (JP) 1994-04-19 US disclosed
EP-0555824-A1 N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
EP-0548934-A1 Benzamide derivatives Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed