SCHEMBL8377218

SCHEMBL8377218

CNc1noc2cc(N(C(=O)OCCN3CCOCC3)C(C)C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8376002 0.88 L3MBTL1 (0.39) QPCTL3MBTL1GAAALDH1A1LMNA
SCHEMBL8377177 0.83 ALDH1A1 (0.43) QPCTL3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL3508765 0.78 ALDH1A1 (0.43) QPCTGAAALDH1A1KDM4ELMNA
SCHEMBL8377217 0.77 HTR2A (0.42) GAAKMT2A
SCHEMBL8377175 0.76 CASR (0.40) QPCTALDH1A1KDM4EKMT2A
SCHEMBL8377108 0.75 CYP1A2 (0.41) QPCTL3MBTL1GAAALDH1A1LMNA
SCHEMBL8375998 0.73 GAA (0.37) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL3508760 0.72 HTR2A (0.39) ALDH1A1
SCHEMBL8376042 0.69 SMN1; SMN2 (0.41) L3MBTL1GAAALDH1A1LMNAATM
SCHEMBL8184622 0.68 CYP3A4 (0.45) ALDH1A1KDM4EHPGDLMNACYP1A2

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
US-5925766-A COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-20 — — US disclosed
US-5756754-A Substituted 3-(aminoalkylamino)-1,2-benzisoxazoles and related compounds HOECHST MARION ROUSSEL, INC. (US) 1998-05-26 — — US disclosed
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