SCHEMBL11734127

SCHEMBL11734127

CCCCCc1ccc(CC2CNCCN2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 8/20 0.44
▸ SPHK2 Q9NRA0 5/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4934485 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TDP1L3MBTL1
SCHEMBL28475644 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TDP1L3MBTL1
SCHEMBL10413244 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL6926417 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL22285003 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL12520753 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4149173 0.75 CA1 (0.47) SLC6A2SLC6A4SLC6A3TDP1L3MBTL1
SCHEMBL20247261 0.74 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8654796 0.74 MITF (0.57) SLC6A2SLC6A4SLC6A3TAAR1TDP1
SCHEMBL6284637 0.74 TAAR1 (0.43) SLC6A2SLC6A4SLC6A3TAAR1

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-4057413-A Methods and compositions for regulating plant growth using piperazine compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 — — US disclosed
US-4049819-A Method of combatting microorganisms employing substituted oxazolines IMC CHEMICAL GROUP, INC. (US) 1977-09-20 — — US disclosed
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