SCHEMBL11234205

SCHEMBL11234205

CCOc1ccc(N=C(N)Nc2ccc(OCC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.83
SCN1A P35498 1/20 0.69
SCN2A Q99250 1/20 0.69
SCN3A Q9NY46 1/20 0.69
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
GRIN2D O15399 2/20 0.64
GRIN3B O60391 2/20 0.64
GRIN1 Q05586 2/20 0.64
GRIN2A Q12879 2/20 0.64
GRIN2B Q13224 2/20 0.64
GRIN2C Q14957 2/20 0.64
GRIN3A Q8TCU5 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL4983220 0.88 ADRA2A (0.66) ADRA2ASCN1ASCN2ASCN3AGRIN2D
Phenacaine SCHEMBL24365 0.82 SCN1A (1.00) ADRA2ASCN1ASCN2ASCN3AALDH1A1
Phenacaine SCHEMBL16070026 0.82 SCN1A (1.00) ADRA2ASCN1ASCN2ASCN3AALDH1A1
SCHEMBL9179995 0.81 SIGMAR1 (0.66) ADRA2ACRHBPCRHR2GRIN2DGRIN3B
SCHEMBL17233866 0.81 SIGMAR1 (0.66) ADRA2ACRHBPCRHR2GRIN2DGRIN3B
Phenacaine SCHEMBL24364 0.81 SCN1A (0.97) ADRA2ASCN1ASCN2ASCN3AALDH1A1
SCHEMBL4984764 0.80 ADRA2A (0.56) ADRA2ASCN2AGRIN2DGRIN3BGRIN1
SCHEMBL11328281 0.79 ADRA2A (0.63) ADRA2ASCN1ASCN2ASCN3AALDH1A1
Phenacaine SCHEMBL1652314 0.79 SCN1A (0.94) ADRA2ASCN1ASCN2ASCN3AALDH1A1
Phenacaine SCHEMBL30185782 0.79 SCN1A (0.94) ADRA2ASCN1ASCN2ASCN3AALDH1A1

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
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed