SCHEMBL9250864

SCHEMBL9250864

O=C(c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 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
SCHEMBL15253262 0.90 HRH3 (0.49) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15254857 0.89 HRH3 (0.48) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253550 0.88 HRH3 (0.48) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253351 0.88 MEN1 (0.51) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253253 0.88 MEN1 (0.52) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253304 0.88 MEN1 (0.55) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253539 0.88 HRH3 (0.47) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253522 0.88 HRH3 (0.47) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL8533305 0.88 HRH3 (0.47) HRH3HPGDALDH1A1HTTKMT2A
SCHEMBL15253368 0.87 KMT2A (0.56) HRH3HPGDALDH1A1HTTKMT2A

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-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed