SCHEMBL7314426

SCHEMBL7314426

CC(C)N1CCC(N2CC(CN3CCN(CCCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.50
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.33
MAOB P27338 4/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
MAOA P21397 1/20 0.32
HTR4 Q13639 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7310988 0.94 HTR2B (0.52) HTR2BMEN1LMNAMAPTKMT2A
SCHEMBL7303482 0.89 HTR2B (0.48) HTR2BLMNACYP1A2MAPK1SMN1; SMN2
SCHEMBL7314554 0.89 HTR2B (0.45) HTR2BMEN1LMNAMAPTKMT2A
SCHEMBL7308689 0.87 HTR2B (0.54) HTR2BMEN1LMNAMAPTKMT2A
SCHEMBL7303829 0.84 HTR2B (0.47) HTR2BSMN1; SMN2PARP1PARP2HTR4
SCHEMBL7314575 0.83 HTR2B (0.44) HTR2BCYP1A2MAPK1SMN1; SMN2MAOB
SCHEMBL7309134 0.83 HTR2B (0.39) HTR2BMEN1LMNAMAPTKMT2A
SCHEMBL7306985 0.82 HTR2B (0.44) HTR2BCYP1A2MAPK1SMN1; SMN2MAOA
SCHEMBL7305444 0.82 HTR2B (0.50) HTR2BCCR5MAOAHSD17B10
SCHEMBL7306400 0.81 HTR2B (0.53) HTR2B

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed