SCHEMBL7900007

SCHEMBL7900007

CC(=O)NCCN1c2ccccc2CC1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
ACKR3 P25106 1/20 0.43
CHRM1 P11229 2/20 0.43
HTR6 P50406 4/20 0.42
BCHE P06276 3/20 0.42
KDM1A O60341 1/20 0.42
NAMPT P43490 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL7896651 0.85 PRMT5 (0.44) USP30ACKR3CHRM1HTR6BCHE
SCHEMBL7901895 0.82 MEN1 (0.47) USP30ACKR3CHRM1HTR6BCHE
SCHEMBL7898331 0.78 CHRM1 (0.38) USP30ACKR3CHRM1HTR6BCHE
SCHEMBL7893412 0.76 ALOX5AP (0.39) USP30ACKR3CHRM1KDM1APRMT5
SCHEMBL7898814 0.74 HTR6 (0.39) USP30ACKR3HTR6BCHE
SCHEMBL7896607 0.74 HTR6 (0.41) USP30ACKR3HTR6BCHEBRD4
SCHEMBL7897488 0.74 USP30 (0.42) USP30KDM1A
SCHEMBL19816138 0.73 NR1H2 (0.44) ACKR3CHRM1
SCHEMBL7896805 0.72 HTR6 (0.46) USP30ACKR3HTR6BCHEBRD4
SCHEMBL2788926 0.70 HTR6 (0.42) USP30ACKR3CHRM1HTR6BCHE

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed