SCHEMBL9013518

SCHEMBL9013518

Cc1cc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9013561 0.92 ACHE (0.44)
SCHEMBL9013760 0.91 CYP2D6 (0.48) CYP2D6ALOX5MEN1KMT2A
SCHEMBL9013406 0.90
SCHEMBL9013741 0.90 MEN1 (0.50) ALOX5MEN1KMT2A
SCHEMBL9013604 0.87 MEN1 (0.52) ALOX5MEN1KMT2A
SCHEMBL9013766 0.86 MEN1 (0.47) MEN1KMT2A
SCHEMBL9013372 0.85
SCHEMBL9013654 0.84 KMT2A (0.50) ALOX5MEN1KMT2A
SCHEMBL9013334 0.83 KMT2A (0.49) ALOX5MEN1KMT2A
SCHEMBL9013352 0.83 MEN1 (0.52) ALOX5MEN1KMT2A

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
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed