SCHEMBL16200317

SCHEMBL16200317

COc1cc(C)c(C(C)NCC2CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR4 Q13639 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL13178791 0.86 P2RX3 (0.38) LMNAHTR2AHTR2CALDH1A1TSHR
SCHEMBL16200313 0.81 PGK1 (0.41) LMNAALDH1A1KDM4E
SCHEMBL16200299 0.77 SMN1; SMN2 (0.41) LMNAHTR2AHTR2CALDH1A1TSHR
SCHEMBL13683103 0.76 CYP2D6 (0.47) HTR2AALDH1A1
SCHEMBL16200314 0.75 ALDH1A1 (0.38) LMNAALDH1A1TSHRHTTMEN1
SCHEMBL16200318 0.70 ACACB (0.43) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL13178807 0.70 GAA (0.46) LMNAHTT
SCHEMBL16200302 0.70 GAA (0.41) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL13178792 0.69 CYP2D6 (0.44) HTR2AALDH1A1TSHRHTTMAPT
SCHEMBL13178817 0.67 GLA (0.41) LMNAHTR2AALDH1A1TSHRMAPT

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed