SCHEMBL8803598

SCHEMBL8803598

CC(NC(=O)c1c[nH]c2ccccc12)C1CCCCN1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
CHRNB4 P30926 1/20 0.49

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
SCHEMBL8802378 0.88 CHRM2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7278288 0.81 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7271032 0.81 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7271076 0.80 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13753409 0.78 NR4A2 (0.64) LMNANPC1KDM4EKMT2AMEN1
SCHEMBL23575924 0.78 SMYD3 (0.68)
SCHEMBL19710028 0.78 SMYD3 (0.68)
SCHEMBL7269431 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7276790 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3287208 0.77 ALOX5 (0.59) LMNACYP2D6POLBCHRM2RAB9A

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
EP-0499995-B1 Piperidine derivatives NISSHIN FLOUR MILLING CO (JP) 1997-01-02 EP disclosed
US-5246945-A 5-hydroxytryptamine antagonist for nervous system disorders NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-21 US disclosed
EP-0499995-A2 Piperidine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-08-26 EP disclosed