SCHEMBL29999765

SCHEMBL29999765

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(I)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL30873380 0.86 LMNA (0.43) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL15464283 0.86 LMNA (0.43) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL29999653 0.81 LMNA (0.41) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL26694776 0.81 LMNA (0.41) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL16194467 0.81 LMNA (0.41) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31187651 0.79 LMNA (0.40) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL28903971 0.78 NPC1 (0.51) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31256425 0.78 VNN1 (0.39) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL23974786 0.77 PIK3CD (0.42) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL30708392 0.77 LMNA (0.39) LMNAMAPTCYP1A2CYP2D6TSHR

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
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed