SCHEMBL9651285

SCHEMBL9651285

CN(C(=O)c1ncc[nH]1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
DRD2 P14416 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 3/20 0.54
ACHE P22303 4/20 0.52
KCNH2 Q12809 1/20 0.51
CCR3 P51677 1/20 0.49
OPRM1 P35372 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM3 P20309 2/20 0.49
CHRM4 P08173 1/20 0.47

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
SCHEMBL6994122 0.80 MEN1 (0.52) SIGMAR1
SCHEMBL222192 0.79 ACHE (0.65) SIGMAR1ACHE
Hydrochloric Acid SCHEMBL11310118 0.78 CCR3 (0.69) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL784863 0.78 SIGMAR1 (0.68) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9651228 0.77 SIGMAR1 (0.61) SIGMAR1DRD2KCNH2
SCHEMBL9030647 0.77 SIGMAR1 (0.67) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11803527 0.76 POLB (0.48)
SCHEMBL27473621 0.76 SIGMAR1 (0.65) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11313073 0.76 SIGMAR1 (0.65) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7475791 0.75 ALDH1A1 (0.59) SIGMAR1ACHE

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-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed