SCHEMBL5847225

SCHEMBL5847225

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3Cl)cc3c1N2CCCC3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 5/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
STS P08842 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5848901 0.97 HTR2A (0.40) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5846989 0.94 MEN1 (0.41) MEN1KMT2AUSP30MAPTLMNA
SCHEMBL5847469 0.93 STS (0.39) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5847676 0.91 GPR119 (0.39) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5846999 0.91 HTR2A (0.39) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5847375 0.91 CNR1 (0.40) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5849542 0.91 STS (0.40) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL5847380 0.90 HTR2A (0.38) NPC1RAB9AUSP30HTR2AHTR2C
SCHEMBL5847743 0.89 HTR2A (0.48) MEN1KMT2ANPC1RAB9AHTR2A
SCHEMBL5846925 0.88 HTR2A (0.47) NPC1RAB9AUSP30HTR2AHTR2C

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