SCHEMBL14307705

SCHEMBL14307705

CC(C)(C)NCc1cc2c(cc1Cl)CCCO2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
CTNNB1 P35222 3/20 0.31
WNT3A P56704 3/20 0.31
CACNA1H O95180 1/20 0.31
RIPK1 Q13546 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
P2RX7 Q99572 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
SCHEMBL14306979 0.83 HTR1D (0.36) HTR1DHTR2CCTNNB1WNT3ACACNA1H
SCHEMBL4523484 0.76 MAOB (0.40) P2RX7
SCHEMBL14272028 0.76
SCHEMBL4526156 0.75 SLC8A1 (0.35)
SCHEMBL13861832 0.73 HTR1D (0.40) HTR1DHTR2CCTNNB1WNT3AAXL
SCHEMBL5950949 0.72 BDKRB1 (0.35)
SCHEMBL5950945 0.72 BDKRB1 (0.35)
SCHEMBL4521150 0.72 MAP3K14 (0.46) P2RX7
SCHEMBL26696481 0.71 HTR1D (0.38) HTR1DHTR2CCTNNB1WNT3AAXL
SCHEMBL12316788 0.70 NPC1 (0.39) HTR1DHTR2CCTNNB1WNT3ARIPK1

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
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed