SCHEMBL8547751

SCHEMBL8547751

O=C1CCc2cccc(C(=O)CCN3CCC[C@H](Cc4ccccc4)C3)c2N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HTR2A P28223 2/20 0.42
CCR3 P51677 2/20 0.42
BCHE P06276 1/20 0.41
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 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
SCHEMBL8547957 1.00 CARM1 (0.45) CARM1PRMT6HTR2ACCR3BCHE
SCHEMBL8548016 0.91 CARM1 (0.42) CARM1PRMT6HTR2ACCR3
SCHEMBL8542975 0.89 MAOA (0.49) MAOAMAOB
SCHEMBL8547677 0.81 CARM1 (0.47) CARM1PRMT6HTR2ACCR3BCHE
SCHEMBL8547747 0.81 GRIN2B (0.54) CARM1PRMT6HTR2AMAOAMAOB
SCHEMBL8547953 0.81 GRIN2B (0.54) CARM1PRMT6HTR2AMAOAMAOB
SCHEMBL8540534 0.79 CARM1 (0.43) CARM1PRMT6HTR2ACCR3BCHE
SCHEMBL8546422 0.77 CARM1 (0.40) CARM1PRMT6BCHECHRNB4CHRNA3
SCHEMBL8547951 0.77 CARM1 (0.40) CARM1PRMT6BCHECHRNB4CHRNA3
SCHEMBL8547562 0.76 ACHE (0.49) CARM1PRMT6HTR2A

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
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed