SCHEMBL7944447

SCHEMBL7944447

N#CC1(c2ccccc2F)CCC(NCCN)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR5A P47898 1/20 0.42
BDKRB1 P46663 2/20 0.40
OPRL1 P41146 5/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 2/20 0.33
HDAC4 P56524 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HTR2A P28223 2/20 0.32

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
SCHEMBL7944448 1.00 MEN1 (0.47) MEN1KMT2AHTR5ABDKRB1OPRL1
SCHEMBL8005369 0.86 BDKRB1 (0.44) MEN1KMT2AHTR5ABDKRB1HDAC4
SCHEMBL7952672 0.83 MEN1 (0.65) MEN1KMT2AHTR5AOPRL1OPRM1
SCHEMBL7226427 0.83 MEN1 (0.65) MEN1KMT2AHTR5AOPRL1OPRM1
SCHEMBL7951355 0.83 MEN1 (0.65) MEN1KMT2AHTR5AOPRL1OPRM1
SCHEMBL8014907 0.83 BDKRB1 (0.46) MEN1KMT2AHTR5ABDKRB1KDM4E
SCHEMBL8020556 0.82 ALDH1A1 (0.49) MEN1KMT2AHTR5ABDKRB1KDM4E
SCHEMBL14342741 0.81 BDKRB1 (0.41) MEN1KMT2AHTR5ABDKRB1NPC1
SCHEMBL5485122 0.81 BDKRB1 (0.41) MEN1KMT2AHTR5ABDKRB1NPC1
SCHEMBL5485126 0.81 BDKRB1 (0.41) MEN1KMT2AHTR5ABDKRB1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
US-6172066-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-01-09 US disclosed