SCHEMBL3377637

SCHEMBL3377637

O=S(=O)(NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH3 Q9Y5N1 3/20 0.40
HTT P42858 1/20 0.40
PIK3CG P48736 1/20 0.40
CNR1 P21554 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 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
SCHEMBL3375950 0.84 CXCR4 (0.44) MEN1KMT2ATP53CHRNB2CHRNA4
SCHEMBL4646535 0.84 MEN1 (0.52) MEN1KMT2APOLBALDH1A1HRH3
SCHEMBL3377218 0.83 POLB (0.50) MEN1KMT2APOLBALDH1A1HRH3
SCHEMBL3376594 0.80 HRH3 (0.50) MEN1KMT2APOLBHRH3KCNH2
SCHEMBL3376165 0.80 CACNA1I (0.52) KMT2AALDH1A1HTTKCNH2MCHR1
SCHEMBL3380191 0.79 HRH3 (0.49) MEN1KMT2APOLBHRH3KCNH2
SCHEMBL3376038 0.79 ALDH1A1 (0.52) POLBALDH1A1HRH3KCNH2MCHR1
SCHEMBL3381187 0.78 HRH3 (0.47) MEN1KMT2APOLBALDH1A1HRH3
SCHEMBL4649673 0.76 HRH3 (0.43) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL19122104 0.74 HTR1A (0.49) KMT2AALDH1A1HTTROCK1ROCK2

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