SCHEMBL8328802

SCHEMBL8328802

CC1N(S(C)(=O)=O)c2ccccc2C12CCNCC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2C P28335 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.32
HTR6 P50406 2/20 0.31
NPY5R Q15761 2/20 0.31
NOTUM Q6P988 1/20 0.31
KDM1A O60341 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
SCHEMBL14713128 0.78 SIGMAR1 (0.36) HTR2CSIGMAR1DRD2OPRM1KDM1A
SCHEMBL8707482 0.74 HTR2C (0.38) HTR2CGAA
SCHEMBL8588820 0.72 DPP9 (0.32) GNRHRKCNH2SIGMAR1KDM1A
SCHEMBL16860861 0.70 NOTUM (0.36) GNRHRKCNH2SIGMAR1GAAOPRM1
SCHEMBL17444517 0.69 NOTUM (0.36) KCNH2SIGMAR1GAANOTUMKDM1A
SCHEMBL38332 0.69 NPY5R (0.55) NPY5RNOTUM
SCHEMBL30051797 0.69 NPY5R (0.55) NPY5RNOTUM
SCHEMBL3991429 0.68 EPHX2 (0.33)
SCHEMBL8845622 0.68 SIGMAR1 (0.47) HTR2CSIGMAR1DRD2OPRM1KDM1A
Hydrochloric Acid SCHEMBL7123289 0.68 NPY5R (0.54) NPY5RNOTUM

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-0937076-A1 SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-08-25 EP disclosed
WO-1998020010-A1 SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-05-14 WO disclosed