SCHEMBL27711007

SCHEMBL27711007

CCOC(=O)N1CCCCC1C=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ THRB P10828 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FKBP1A P62942 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ CTSG P08311 1/20 0.37

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
SCHEMBL12133179 0.95 RAB9A (0.43) ALDH1A1THRBATML3MBTL1FKBP1A
SCHEMBL13532420 0.95 RAB9A (0.43) ALDH1A1THRBATML3MBTL1FKBP1A
SCHEMBL9275749 0.86 SMN1; SMN2 (0.43) ALDH1A1ATML3MBTL1FKBP1AKMT2A
SCHEMBL27731582 0.84 TSHR (0.41) ALDH1A1THRBATML3MBTL1FKBP1A
SCHEMBL4771347 0.84 RAB9A (0.58) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL24739373 0.82 FKBP1A (0.36) FKBP1ARAB9A
SCHEMBL2723323 0.81 LMNA (0.44) ALDH1A1ATML3MBTL1RAB9ATSHR
SCHEMBL32681452 0.81 LMNA (0.44) ALDH1A1ATML3MBTL1RAB9ATSHR
SCHEMBL1991177 0.80 HSD17B10 (0.45) ALDH1A1TSHR
SCHEMBL1991179 0.80 HSD17B10 (0.45) ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 — — CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 — — CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 — — CN disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 — — CN disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
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