SCHEMBL8540534

SCHEMBL8540534

O=C1CCc2cccc(C(O)CN3CCCC(Cc4ccccc4)C3)c2N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CCR3 P51677 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2B Q13224 1/20 0.40
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTR2A P28223 2/20 0.38
OGT O15294 1/20 0.37
TBXA2R P21731 1/20 0.37
HRH1 P35367 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
SCHEMBL8547677 0.92 CARM1 (0.47) CARM1PRMT6CCR3MEN1KMT2A
SCHEMBL8547391 0.84 CARM1 (0.39) CARM1PRMT6MEN1KMT2AGRIN2B
SCHEMBL8548066 0.84 CARM1 (0.39) CARM1PRMT6MEN1KMT2AGRIN2B
SCHEMBL8547879 0.84 CARM1 (0.39) CARM1PRMT6MEN1KMT2AGRIN2B
SCHEMBL8549348 0.83 GRIN2B (0.53) CARM1PRMT6CCR3MEN1KMT2A
SCHEMBL8543860 0.82 LMNA (0.37) CCR3MEN1KMT2AGRIN2BOGT
SCHEMBL8544708 0.82 GRIN2B (0.45) CARM1PRMT6CCR3MEN1KMT2A
SCHEMBL8545326 0.82 GRIN2B (0.45) CARM1PRMT6CCR3MEN1KMT2A
SCHEMBL8545330 0.82 GRIN2B (0.45) CARM1PRMT6CCR3MEN1KMT2A
SCHEMBL7305064 0.81 CHRM2 (0.46) CARM1PRMT6CCR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP claimed
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