SCHEMBL4060308

SCHEMBL4060308

NC(=O)c1nccc(N2CCNCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
PRKD1 Q15139 6/20 0.50
PRKD2 Q9BZL6 6/20 0.50
PRKD3 O94806 1/20 0.50
PRKCA P17252 2/20 0.47
PRKCQ Q04759 2/20 0.47
PRKCD Q05655 2/20 0.47
HRH4 Q9H3N8 5/20 0.47
PLD1 Q13393 1/20 0.45
ADRB1 P08588 1/20 0.44
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL9371310 0.85 SORD (0.58) HRH3PRKD1PRKD2PRKD3PRKCA
SCHEMBL31468673 0.84 CXCR4 (0.49) HRH3PRKD1PRKD2PRKD3HRH4
SCHEMBL14331816 0.82 HRH3 (0.54) HRH3PRKD1PRKD2PRKD3PRKCA
SCHEMBL31706338 0.81 HRH3 (0.52) HRH3PRKD1PRKD2PRKCAPRKCQ
SCHEMBL31706298 0.81 HRH3 (0.52) HRH3PRKD1PRKD2PRKCAPRKCQ
SCHEMBL4197090 0.78 HRH3 (0.46) HRH3HRH4
SCHEMBL8966785 0.78 PRKCQ (0.71) HRH3PRKCAPRKCQPRKCD
SCHEMBL4350540 0.76 HRH3 (0.48) HRH3HRH4KDM4E
SCHEMBL27786169 0.76 PRKD1 (0.66) HRH3PRKD1PRKD2PRKD3PLD1
SCHEMBL23458788 0.76 HRH3 (0.65) HRH3PRKCAPRKCQPRKCDHRH4

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
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed