SCHEMBL11634992

SCHEMBL11634992

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ OPRL1 P41146 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ DRD2 P14416 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR7 P34969 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11629536 0.94 SIGMAR1 (0.46) L3MBTL1OPRL1SIGMAR1DRD2ALDH1A1
SCHEMBL11629977 0.93 SIGMAR1 (0.46) L3MBTL1OPRL1SIGMAR1DRD2ALDH1A1
SCHEMBL11630996 0.93 SIGMAR1 (0.46) L3MBTL1OPRL1SIGMAR1DRD2ALDH1A1
SCHEMBL11634977 0.91 L3MBTL1 (0.47) L3MBTL1OPRL1DRD2ALDH1A1MAPT
SCHEMBL11633969 0.88 L3MBTL1 (0.47) L3MBTL1DRD2ALDH1A1MAPTPOLB
SCHEMBL11629858 0.88 L3MBTL1 (0.44) L3MBTL1OPRL1SIGMAR1POLBMEN1
SCHEMBL11629569 0.88 L3MBTL1 (0.44) L3MBTL1DRD2ALDH1A1MAPTPOLB
SCHEMBL11630316 0.87 OPRM1 (0.52) L3MBTL1OPRL1SIGMAR1DRD2LMNA
SCHEMBL11633475 0.86 L3MBTL1 (0.45) L3MBTL1OPRL1DRD2ALDH1A1MAPT
SCHEMBL11744846 0.86 L3MBTL1 (0.51) L3MBTL1OPRL1SIGMAR1DRD2ALDH1A1

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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