SCHEMBL11284541

SCHEMBL11284541

CCc1c(OCc2ccccc2)ccc(C(N)=O)c1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ PARP1 P09874 7/20 0.48
▸ HTR6 P50406 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.44
▸ NEK2 P51955 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ STAT6 P42226 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
SCHEMBL9284587 0.72 HTR7 (0.50) PARP1HTR6MAPTCYP2C19
SCHEMBL9283302 0.71 HTR2C (0.50) HTR1ASLC6A2SLC6A4PARP1
SCHEMBL6933646 0.71 LTB4R (0.52) PARP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23259451 0.68 LRRK2 (0.62) HTR1ASLC6A2SLC6A4SLC6A3PARP1
SCHEMBL7238059 0.68 MEN1 (0.53) MAPK14CYP2C9CYP2C19ALDH1A1
SCHEMBL9283309 0.68 DRD2 (0.52) HTR1APARP1HTR6CYP2C19ALDH1A1
SCHEMBL19704875 0.68 SMN1; SMN2 (0.49) MAPK14MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL27202066 0.68 ALDH1A1 (0.51) SLC6A4PARP1HTR6ALDH1A1
SCHEMBL11091056 0.67 MAOB (0.46) SLC6A4PARP1EGFR
SCHEMBL11088706 0.67 PARP1 (0.66) HTR1ASLC6A2SLC6A4SLC6A3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067561-A2 Piperazine derivatives and processes for producing them KOWA COMPANY, LTD. (JP) 1982-12-22 — — EP disclosed
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