SCHEMBL13825670

SCHEMBL13825670

C[C@]1(N2CCC2=O)CC[C@@H](c2ccccc2)NC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
SRD5A1 P18405 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NOTUM Q6P988 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A9 P48067 1/20 0.32
LPAR1 Q92633 1/20 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
SCHEMBL24364391 0.72 PRCP (0.38) CHRNB2CHRNA4
SCHEMBL13825628 0.71 CHRM2 (0.36) HTR1AADRA1BMEN1KMT2A
SCHEMBL29081786 0.69 PRCP (0.36) DDB1CRBNMEN1KMT2ACHRNB2
SCHEMBL31145132 0.69 PRCP (0.36) DDB1CRBNMEN1KMT2ACHRNB2
SCHEMBL24365235 0.69 PRCP (0.36) DDB1CRBNMEN1KMT2ACHRNB2
SCHEMBL29081784 0.69 PRCP (0.36) DDB1CRBNMEN1KMT2ACHRNB2
SCHEMBL24384272 0.67 DDB1 (0.40) DDB1CRBN
SCHEMBL14396985 0.67 DDB1 (0.40) DDB1CRBN
SCHEMBL9420060 0.65 PRCP (0.40) MEN1KMT2ACHRNA7
SCHEMBL18601881 0.65 DDB1 (0.35) SMN1; SMN2DDB1CRBN

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
EP-2522664-A1 Piperidine derivatives as NK1 antagonists OPKO Health, Inc. (US) 2012-11-14 EP disclosed