SCHEMBL7786384

SCHEMBL7786384

CN(C)CCOc1ccc2c(c1)C(=O)c1cccc(OCCN(C)C)c1-2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CHRNA7 P36544 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR7 P34969 2/20 0.49
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
KCNA3 P22001 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
TOP2A P11388 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7792612 0.95 KCNA3 (0.51) MAPTCHRNA7KMT2AHTR7ADORA2A
SCHEMBL7794682 0.94 KCNA3 (0.50) MAPTCHRNA7KMT2AKCNA3TOP2A
SCHEMBL8517442 0.91 KCNA3 (0.54) MAPTCHRNA7KMT2AHTR7ADORA2A
SCHEMBL7786287 0.88 MAPT (0.71) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL7792348 0.86 MAPT (0.59) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL8386455 0.86 MAPT (0.56) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL7792554 0.84 MAPT (0.67) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL7796349 0.84 MAPT (0.67) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL7795949 0.84 MAPT (0.62) MAPTCHRNA7KMT2AADORA2AADORA1
SCHEMBL9335025 0.83 KMT2A (0.67) MAPTCHRNA7KMT2AADORA2AADORA1

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed