SCHEMBL11628508

SCHEMBL11628508

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCCC(O)(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ MDM2 Q00987 5/20 0.36
▸ HTT P42858 1/20 0.36
▸ DRD2 P14416 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL11804452 0.81 HTR1A (0.48) LMNAMAPTALDH1A1RAB9AKDM4E
SCHEMBL11744846 0.81 L3MBTL1 (0.51) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11632587 0.80 L3MBTL1 (0.50) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11634977 0.80 L3MBTL1 (0.47) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11741206 0.80 L3MBTL1 (0.46) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11633969 0.79 L3MBTL1 (0.47) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11629904 0.78 L3MBTL1 (0.47) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11631327 0.78 L3MBTL1 (0.49) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11632571 0.77 L3MBTL1 (0.43) L3MBTL1LMNAMAPTALDH1A1RAB9A
SCHEMBL11631833 0.77 L3MBTL1 (0.44) L3MBTL1LMNAMAPTALDH1A1RAB9A

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-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
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