SCHEMBL11284653

SCHEMBL11284653

COc1cc2c(cc1OC)C(C)N(C(N)Cc1ccc(C)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAOA P21397 1/20 0.49
▸ CA7 P43166 1/20 0.47
▸ DPP4 P27487 3/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL10662550 0.89 MAOA (0.50) KMT2AMAOACA7ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL10661812 0.88 MAOA (0.52) KMT2AMAOACA7ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL11291254 0.84 CA1 (0.47) KMT2AMEN1CA7CA1CA2
Hydrochloric Acid SCHEMBL10663034 0.70 MAOA (0.47) KMT2AMEN1MAOAALDH1A1CYP2D6
SCHEMBL10657078 0.70 MTNR1B (0.51) KMT2AMAOAALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9352783 0.70 MAOA (0.67) KMT2AMEN1MAOACA7SMN1; SMN2
SCHEMBL8203917 0.69 NR1I2 (0.80) MAOALMNAALDH1A1MAPK1KDM4E
Veradoline SCHEMBL489286 0.68 MAOA (0.53) KMT2AMAOACA7CA1CA2
Veradoline SCHEMBL29388371 0.68 MAOA (0.53) KMT2AMAOACA7CA1CA2
SCHEMBL19888927 0.68 MAOA (0.97) MAOACA7LMNAALDH1A1MAPK1

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
EP-0051190-A2 N-(amino(or hydroxy) phenethyl)-1,2,3,4-tetrahydroisoquinolines, precursors thereof, and methods of preparation PENNWALT CORPORATION (US) 1982-05-12 — — EP disclosed
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