SCHEMBL5636189

SCHEMBL5636189

COc1cccc(-c2cc3c4c(c2)C2CCN(C(=O)OC(C)(C)C)CCC2N4CCO3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIM1 P11309 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ABL2 P42684 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TGFBR1 P36897 1/20 0.40
STS P08842 1/20 0.40
HTT P42858 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL5636070 0.85 USP30 (0.39) USP30MEN1KMT2AMAPTTP53
SCHEMBL5636403 0.82 USP30 (0.42) USP30MAPTTP53THRBGPR119
SCHEMBL5637246 0.81 USP30 (0.41) USP30MEN1KMT2AMAPTTP53
SCHEMBL5636033 0.80 HTR2C (0.40) PIM1KDM4ELMNAHSD17B10
SCHEMBL5635404 0.80 USP30 (0.39) USP30MAPTTP53THRBGPR119
SCHEMBL5636199 0.80 CNR1 (0.42) USP30MEN1KMT2AMAPTTP53
SCHEMBL5637496 0.79 HTR2A (0.47) USP30MEN1KMT2AMAPTTP53
SCHEMBL5635971 0.79 USP30 (0.47) USP30MEN1KMT2AMAPTTP53
SCHEMBL5636040 0.78 USP30 (0.46) USP30MAPTTP53GPR119LMNA
SCHEMBL5636694 0.78 USP30 (0.53) USP30MAPTGPR119

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
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed