SCHEMBL4032728

SCHEMBL4032728

CC(C)N1CCC(CC2CCN(c3ccc(C(=O)O)nc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.53
KCNH2 Q12809 1/20 0.39
HDAC4 P56524 1/20 0.39
USP2 O75604 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL4032294 0.90 HRH3 (0.53) HRH3ACKR3
SCHEMBL4031748 0.87 HRH3 (0.53) HRH3KCNH2ACKR3
SCHEMBL5210405 0.87 HRH3 (0.61) HRH3
SCHEMBL4032242 0.84 HRH3 (0.55) HRH3
SCHEMBL4036526 0.83 HRH3 (0.54) HRH3
SCHEMBL4032479 0.81 HRH3 (0.53) HRH3KCNH2
SCHEMBL24420935 0.80 KDM4E (0.43) HRH3USP2
SCHEMBL29614700 0.80 KDM4E (0.43) HRH3USP2
Hydrochloric Acid SCHEMBL26114917 0.79 KDM4E (0.42) HRH3USP2
SCHEMBL1749370 0.79 USP2 (0.60) HRH3USP2

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-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed