SCHEMBL4669600

SCHEMBL4669600

CCCN1CCCN(C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)nc3)C2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.63
NOTUM Q6P988 7/20 0.48
CHRM4 P08173 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
UBE2N P61088 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
GAA P10253 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL4668652 0.84 HRH3 (0.58) HRH3NOTUMCHRM4DGAT2CCNC
SCHEMBL4668384 0.82 HRH3 (0.90) HRH3NOTUMCHRM4DGAT2
SCHEMBL4668383 0.82 HRH3 (0.90) HRH3NOTUMCHRM4DGAT2
SCHEMBL4667344 0.82 HRH3 (0.90) HRH3NOTUMCHRM4DGAT2
Hydrochloric Acid SCHEMBL4669579 0.82 HRH3 (0.89) HRH3NOTUMCHRM4DGAT2
Hydrochloric Acid SCHEMBL4669578 0.82 HRH3 (0.89) HRH3NOTUMCHRM4DGAT2
Hydrochloric Acid SCHEMBL4666741 0.82 HRH3 (0.89) HRH3NOTUMCHRM4DGAT2
SCHEMBL4668375 0.81 HRH3 (0.63) HRH3NOTUMCHRM4DGAT2CCNC
SCHEMBL4666663 0.81 HRH3 (0.66) HRH3NOTUMCHRM4DGAT2CCNC
SCHEMBL4666684 0.81 HRH3 (0.63) HRH3NOTUMCHRM4DGAT2CCNC

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-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP claimed