SCHEMBL9729281

SCHEMBL9729281

Cc1cccc(C2(c3cccc(C)c3)CCC(=O)C3CN(Cc4ccccc4)CC32)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
TACR1 P25103 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR5 P51681 1/20 0.42
CXCR3 P49682 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
BCHE P06276 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 1/20 0.38
DPP4 P27487 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
SCHEMBL9003055 0.89 TACR1 (0.48) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9268452 0.89 TACR1 (0.48) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9003052 0.89 TACR1 (0.48) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9729382 0.88 DPP4 (0.46) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9729536 0.87 CCR5 (0.42) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL8874365 0.81 GAA (0.44) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9730126 0.81 TACR1 (0.51) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL8875025 0.78 GAA (0.46) TACR1DPP4
SCHEMBL9730176 0.77 TACR1 (0.53) MEN1CYP3A4MAPTTSHRTACR1
SCHEMBL9729134 0.76 TACR1 (0.39) MEN1CYP3A4MAPTTSHRTACR1

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-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed