SCHEMBL5848083

SCHEMBL5848083

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3)cc3c1N2CCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 2/20 0.40
STS P08842 1/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL5847308 0.97 USP30 (0.41) USP30MEN1KMT2ANPSR1USP2
SCHEMBL5847512 0.93 STS (0.41) USP30MEN1KMT2ANPSR1USP2
SCHEMBL5848258 0.91 NPC1 (0.40) USP30CNR1CNR2NPC1RAB9A
SCHEMBL5847125 0.91 TP53 (0.42) USP30MEN1KMT2ASTSTP53
SCHEMBL5846980 0.90 STS (0.41) USP30MEN1KMT2ANPSR1USP2
SCHEMBL5847676 0.90 GPR119 (0.39) USP30MEN1KMT2ANPSR1USP2
SCHEMBL5847375 0.90 CNR1 (0.40) USP30MEN1KMT2ANPSR1USP2
SCHEMBL5847077 0.90 NPC1 (0.40) USP30NPC1RAB9APTPN2PTPN1
SCHEMBL5846974 0.89 NPC1 (0.40) USP30MEN1KMT2ACNR1CNR2
SCHEMBL5849542 0.88 STS (0.40) USP30MEN1KMT2ALMNASTS

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
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed