SCHEMBL8305045

SCHEMBL8305045

COc1c(N)cccc1C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 17/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC9A1 P19634 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6829470 0.81 RBP4 (0.44) RBP4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6786475 0.80 MEN1 (0.66) RBP4MEN1KMT2A
SCHEMBL521037 0.77 HTR1D (0.43) MEN1KMT2ACYP3A4CYP2C9
SCHEMBL28092534 0.77 HTR2C (0.43)
SCHEMBL6815771 0.76 MEN1 (0.45) RBP4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6829429 0.75 RBP4 (0.41) RBP4MEN1KMT2A
SCHEMBL6827614 0.75 MEN1 (0.59) RBP4MEN1KMT2A
SCHEMBL6827610 0.75 MEN1 (0.59) RBP4MEN1KMT2A
SCHEMBL7065427 0.74 PARP1 (0.39) MEN1KMT2AKCNH2
SCHEMBL20516110 0.73 QDPR (0.54)

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-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed