SCHEMBL8911974

SCHEMBL8911974

C1=CC2(Oc3c1ccc1nc4ccccc4nc31)C1CC3CC(C1)CC2C3

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL8910440 0.71
SCHEMBL8910990 0.71
SCHEMBL31167435 0.69 CYP1A2 (0.38) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL31167434 0.69 CYP1A2 (0.38) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL7098420 0.68 HTR2C (0.45) MAPTKMT2ANPSR1
SCHEMBL8911274 0.64 CA12 (0.37) ALDH1A1RAB9A
SCHEMBL8912372 0.63 MEN1 (0.30) MAPTKMT2ANPSR1
SCHEMBL8910451 0.63 P2RX7 (0.31)
SCHEMBL8912778 0.63 TP53 (0.30)
SCHEMBL8143735 0.63 NQO2 (0.38) ALDH1A1GAAMAPTRAB9AKMT2A

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