SCHEMBL9998323

SCHEMBL9998323

O=C(O)c1cccc(CN2CN(c3ccc(F)cc3)C3(CCNCC3)C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL318592 0.92 KMT2A (0.51) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318449 0.89 MEN1 (0.50) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8810961 0.86 MEN1 (0.51) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL319332 0.86 MEN1 (0.48) MEN1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11040988 0.85 MEN1 (0.50) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10248501 0.84 MEN1 (0.50) MEN1TP53CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL8806299 0.84 MEN1 (0.50) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9999121 0.82 MEN1 (0.44) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL320054 0.82 MEN1 (0.49) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318580 0.81 MEN1 (0.83) MEN1TP53CYP1A2CYP3A4CYP2D6

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-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 WO disclosed