SCHEMBL8912372

SCHEMBL8912372

c1ccc2nc3c4c(ccc3nc2c1)OCC1(C4)C2CC3CC(C2)CC1C3

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8912397 0.75 P2RX7 (0.38) MEN1CYP3A4MAPTHTTKMT2A
SCHEMBL4541683 0.64 KDM4E (0.41) CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL8911974 0.63 ALDH1A1 (0.30) MAPTKMT2ANPSR1
SCHEMBL4654883 0.59 MAPT (0.69) MEN1MAPTKMT2ANPSR1
Acridine SCHEMBL28511403 0.59 MAPT (0.71) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1512986 0.58 MAPT (0.46) MEN1MAPTKMT2ANPSR1
SCHEMBL29689895 0.58 MAPT (0.46) MEN1CYP1A2CYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL28651484 0.57 MAPT (0.44) MEN1MAPTKMT2ANPSR1
SCHEMBL31391239 0.54 MYC (0.63) MEN1MAPTKMT2ANPSR1
SCHEMBL23558663 0.53 HSD11B1 (0.37)

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-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US claimed