SCHEMBL8376002

SCHEMBL8376002

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL8377218 0.88 QPCT (0.40) L3MBTL1ATMSMN1; SMN2QPCTCYP1A2
SCHEMBL8377108 0.87 CYP1A2 (0.41) L3MBTL1ATMHTR1ADRD2HTR2A
SCHEMBL8377177 0.85 ALDH1A1 (0.43) L3MBTL1QPCTCYP1A2ALDH1A1LMNA
SCHEMBL8376042 0.81 SMN1; SMN2 (0.41) L3MBTL1ATMSMN1; SMN2CYP1A2GAA
SCHEMBL8377175 0.78 CASR (0.40) QPCTALDH1A1KMT2A
SCHEMBL8375998 0.77 GAA (0.37) GAAALDH1A1LMNAKMT2A
SCHEMBL8377217 0.73 HTR2A (0.42) DRD2HTR2AGAAKMT2A
SCHEMBL8184622 0.71 CYP3A4 (0.45) CYP1A2ALDH1A1LMNA
SCHEMBL3504561 0.70 ALDH1A1 (0.46) CYP1A2GAAALDH1A1LMNAKMT2A
SCHEMBL8183130 0.70 CYP3A4 (0.47) SMN1; SMN2CYP1A2ALDH1A1LMNAKMT2A

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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