SCHEMBL7715017

SCHEMBL7715017

NCCNC1CCN(c2ccccc2CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY2R P49146 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BRD4 O60885 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
ME3 Q16798 1/20 0.38
PDCD1 Q15116 1/20 0.37

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
SCHEMBL7715013 0.85 KDM4E (0.44) HRH1CCR3KCNH2KDM4EKMT2A
SCHEMBL7711170 0.80 NPC1 (0.55) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL7714769 0.77 OPRK1 (0.45) KDM4EKMT2ACHRM2CHRM5CHRM3
SCHEMBL7715920 0.76 ADRB1 (0.45) KDM4EKMT2AMEN1CHRM2CHRM5
SCHEMBL2553609 0.75 CKS1B (0.54) HRH1CCR3KCNH2KMT2A
SCHEMBL8683997 0.75 FABP3 (0.55) HRH1CCR3KCNH2KDM4EKMT2A
SCHEMBL7714987 0.74 KDM4E (0.44) KDM4E
SCHEMBL7718950 0.73 NPY1R (0.50) KDM4EKMT2AMEN1NPSR1
SCHEMBL7718916 0.73 NPY1R (0.50) KDM4EKMT2AMEN1NPSR1
Bromide SCHEMBL8998015 0.73 FABP3 (0.53) HRH1CCR3KCNH2KDM4EKMT2A

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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed