SCHEMBL29024014

SCHEMBL29024014

NCCCCC1CNCCN1c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC6A2 P23975 6/20 0.37
▸ SLC6A4 P31645 6/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ CYP2D6 P10635 5/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ GLA P06280 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL7543302 0.96 KDM4E (0.39) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5330905 0.86 SLC6A2 (0.47) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL9443686 0.86 KDM4E (0.38) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8983628 0.81 SLC6A2 (0.49) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5666455 0.80 SLC6A2 (0.37) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL31087004 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6111512 0.77 PLD1 (0.48) ALDH1A1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9114880 0.76 SLC6A2 (0.34) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6684703 0.74 KDM4E (0.40) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL31086977 0.74 CYP2D6 (0.50) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283926-A Preparation method of tandospirone citrate and application of tandospirone citrate in preparation 重庆圣华曦药业股份有限公司 2023-06-23 — — CN claimed
CN-116283926-B Preparation method of tandospirone citrate and application of tandospirone citrate in preparation 重庆圣华曦药业股份有限公司 2025-02-25 — — CN disclosed
CN-116283926-A Preparation method of tandospirone citrate and application of tandospirone citrate in preparation 重庆圣华曦药业股份有限公司 2023-06-23 — — CN disclosed
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