SCHEMBL8655208

SCHEMBL8655208

CN1C(=O)OC(N2CCN(CCCC(=O)O)CC2)C1CCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.43
CACNA1G O43497 1/20 0.42
CCR3 P51677 1/20 0.42
HTR1A P08908 1/20 0.41
KMT2A Q03164 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
SCHEMBL8654661 0.97 CACNA1G (0.43) HTR7CACNA1GCCR3HTR1AKMT2A
SCHEMBL8654744 0.96 HTR7 (0.43) HTR7CCR3HTR1AKMT2A
SCHEMBL8654558 0.95 CACNA1G (0.43) HTR7CACNA1GCCR3HTR1AKMT2A
SCHEMBL8657942 0.94 LTA4H (0.47)
SCHEMBL8657796 0.93 KMT2A (0.43) HTR7CACNA1GCCR3HTR1AKMT2A
SCHEMBL8657712 0.92 SMN1; SMN2 (0.42) HTR7CCR3HTR1A
SCHEMBL8657296 0.92 LTA4H (0.47)
SCHEMBL8655861 0.91 LTA4H (0.46)
SCHEMBL8657783 0.91 CACNA1G (0.42) HTR7CACNA1GHTR1AKMT2A
SCHEMBL8657864 0.89 SMN1; SMN2 (0.43) HTR7CCR3HTR1A

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed