SCHEMBL11214480

SCHEMBL11214480

CCCCCNC1NCCCN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.47
GNAO1 P09471 3/20 0.47
GNAI1 P63096 3/20 0.47
PRCP P42785 3/20 0.44
GBA1 P04062 6/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
FUCA1 P04066 5/20 0.36

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
SCHEMBL564916 0.91 GNAI3 (0.50) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL20903914 0.77 CASP2 (0.33) TSHR
SCHEMBL10906234 0.76 PRCP (0.49) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL10945126 0.75 GNAI3 (0.51) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL6401701 0.75 GNAI3 (0.51) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL11302086 0.72 GNAI3 (0.53) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL7042804 0.71 GNAI3 (0.56) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL7041937 0.71 GNAI3 (0.56) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL7043466 0.70 GNAI3 (0.50) GNAI3GNAO1GNAI1PRCPGBA1
SCHEMBL2270943 0.69 PRCP (0.42) GNAI3GNAO1GNAI1PRCPGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP claimed
US-4396617-A FUNGICIDES DUPHAR INTERNATIONAL B.V. (NL) 1983-08-02 US disclosed
US-4374143-A AS FUNGICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-02-15 US disclosed
EP-0001663-B1 NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-05-12 EP disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP disclosed