SCHEMBL9013741

SCHEMBL9013741

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
TDP1 Q9NUW8 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
SCHEMBL9013766 0.96 MEN1 (0.47) MEN1KMT2A
SCHEMBL9013406 0.93
SCHEMBL9013518 0.90 CYP2D6 (0.46) MEN1KMT2AALOX5
SCHEMBL9013417 0.90 ESR1 (0.46) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL9013604 0.89 MEN1 (0.52) MEN1KMT2AALOX5TDP1
SCHEMBL9013561 0.89 ACHE (0.44)
SCHEMBL9013372 0.88
SCHEMBL9013334 0.87 KMT2A (0.49) MEN1KMT2AALOX5DRD2DRD4
SCHEMBL9013385 0.83 MEN1 (0.47) MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6590830 0.82 KCNH2 (0.55)

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