SCHEMBL3434033

SCHEMBL3434033

Cc1nccn1-c1ccc2c(c1)c(CC1COCCN1)cn2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR2C P28335 1/20 0.37
ADH5 P11766 1/20 0.32
PARG Q86W56 1/20 0.32
HTR1B P28222 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL947139 0.76 SLC6A4 (0.45) HTR1APARGCYP19A1ALDH1A1PIK3C2A
SCHEMBL3433442 0.75 CNR2 (0.45) PARG
SCHEMBL3433438 0.75 CNR2 (0.45) PARG
SCHEMBL944734 0.75 GPR84 (0.48) ALDH1A1
SCHEMBL3433332 0.72 CNR2 (0.40) PARGALDH1A1PIK3C2APIK3C2B
SCHEMBL945731 0.72 CNR2 (0.40) PARGALDH1A1PIK3C2APIK3C2B
SCHEMBL17580277 0.66 HCRTR1 (0.50) CYP3A4
SCHEMBL17580276 0.66 HCRTR1 (0.50) CYP3A4
SCHEMBL14940431 0.65 HCRTR1 (0.51) CYP3A4
SCHEMBL14940433 0.65 HCRTR1 (0.51) CYP3A4

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
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed