SCHEMBL5848598

SCHEMBL5848598

CC(C)(C)c1c(-c2cc(Cl)ccc2Cl)cc2c3c1[C@@H]1CN(C(=O)O)CC[C@@H]1N3CC2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
FKBP1A P62942 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CCR3 P51677 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOTUM Q6P988 1/20 0.31
GHSR Q92847 1/20 0.30
SRD5A1 P18405 3/20 0.30
SRD5A2 P31213 2/20 0.30
DPP4 P27487 2/20 0.30
CNR1 P21554 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL5848064 0.89 DPP4 (0.36) CCR3DPP4DPP7
SCHEMBL5848396 0.87 CCR3 (0.31) CCR3
SCHEMBL5847392 0.85 CCR3 (0.34) CCR3NOTUM
SCHEMBL5847854 0.85 HCRTR1 (0.36) LMNAHTR2AHTR2CCCR3DPP4
SCHEMBL5847193 0.84 CCR3 (0.35) FKBP1AHTR2AHTR2CCCR3
SCHEMBL5849715 0.84 DRD1 (0.37) TSHRHTR2AHTR2CCCR3DPP4
SCHEMBL5847107 0.81 SCD5 (0.37) HTR2AHTR2CCCR3DPP4DPP7
SCHEMBL5421544 0.80 CCR3 (0.33) CCR3
SCHEMBL5847913 0.79 ABCB1 (0.35) FKBP1AHTR2CCCR3
SCHEMBL5847121 0.79 CCR3 (0.35) HTR2AHTR2CCCR3NOTUM

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