SCHEMBL5205369

SCHEMBL5205369

Cc1nc(N2CCCNCC2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HRH4 Q9H3N8 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ HTR2C P28335 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42

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 0.87 GABRP (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2132966 0.86 GABRP (0.49) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL30572289 0.82 IKBKB (0.45) PRKCAPRKCQPRKCDKDM4ECYP3A4
SCHEMBL5205003 0.80 PRKCQ (0.46) PRKCQKDM4EHSD17B10HRH4HRH3
SCHEMBL2130484 0.77 PKM (0.53) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL30612354 0.77 KDM4E (0.46) PRKCAPRKCQPRKCDKDM4ECYP3A4
SCHEMBL12469440 0.75 PRKCA (0.62) PRKCAPRKCQPRKCDKDM4ECYP3A4
SCHEMBL2220368 0.75 ADRB1 (0.54) KDM4EHSD17B10ADRB1USP2ALDH1A1
Hydrochloric Acid SCHEMBL2489674 0.74 ADRB1 (0.52) KDM4EHSD17B10ADRB1USP2ALDH1A1
SCHEMBL16338929 0.74 PTGER4 (0.43) KDM4ECYP3A4HSD17B10HRH3GABRP

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
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