SCHEMBL3380191

SCHEMBL3380191

CCS(=O)(=O)NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ADRB2 P07550 4/20 0.45
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 2/20 0.42
ACHE P22303 1/20 0.40

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
SCHEMBL3376594 0.89 HRH3 (0.50) HRH3MEN1KMT2AADRB2TSHR
SCHEMBL3376038 0.88 ALDH1A1 (0.52) HRH3POLBKCNH2MCHR1ACHE
SCHEMBL3381187 0.85 HRH3 (0.47) HRH3MEN1KMT2AADRB2TSHR
SCHEMBL4646695 0.85 HRH3 (0.40) HRH3MEN1KMT2APOLBKCNH2
SCHEMBL3377442 0.83 ADRB2 (0.49) HRH3MEN1KMT2AADRB2KCNH2
SCHEMBL3379985 0.83 HRH3 (0.55) HRH3MEN1KMT2AADRB2TSHR
SCHEMBL3379325 0.83 HRH3 (0.55) HRH3MEN1KMT2AADRB2TSHR
SCHEMBL4646535 0.82 MEN1 (0.52) HRH3MEN1KMT2APOLB
SCHEMBL3376675 0.81 HRH3 (0.51) HRH3MEN1KMT2AADRB2KCNH2
SCHEMBL3377637 0.79 MEN1 (0.45) HRH3MEN1KMT2APOLBKCNH2

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed