SCHEMBL5205003

SCHEMBL5205003

Cc1nc(N2CCCN(C)CC2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ PIM2 Q9P1W9 3/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ HTR3A P46098 5/20 0.44
▸ HTR3E A5X5Y0 4/20 0.44
▸ HTR3B O95264 4/20 0.44
▸ HTR3D Q70Z44 4/20 0.44
▸ HTR3C Q8WXA8 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43

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
SCHEMBL2130721 0.88 GABRP (0.50) KDM4EALDH1A1PARP1GABRPGABRD
SCHEMBL2132966 0.87 GABRP (0.49) KDM4EALDH1A1PARP1GABRPGABRD
SCHEMBL5205369 0.80 PRKCA (0.46) PRKCQKDM4EALDH1A1PIM2HTR3A
SCHEMBL20632511 0.79 HTR3A (0.51) KDM4EALDH1A1HTR3AHTR3EHTR3B
SCHEMBL2130484 0.78 PKM (0.53) KDM4EALDH1A1HSD17B10PKMGABRP
SCHEMBL12984367 0.77 GABRP (0.42) KDM4EALDH1A1PIM1GABRPGABRD
SCHEMBL1330727 0.75 HSD11B1 (0.52) HRH4
SCHEMBL5207636 0.73 RAB9A (0.53) KDM4EALDH1A1HSD17B10HRH3HPGD
SCHEMBL12984777 0.73 GRIN2D (0.52) ALDH1A1HRH4
SCHEMBL21262265 0.71 KDM4E (0.45) PRKCQKDM4EALDH1A1PIM2PIM1

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-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 — — EP claimed
Send feedback