SCHEMBL7094490

SCHEMBL7094490

N#Cc1cc2c(cc1OCCN1CCCCC1)NCC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.51
EGLN2 Q96KS0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPM2 O94759 1/20 0.39
PARP1 P09874 1/20 0.39
SCN7A Q01118 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL7096511 0.81 HRH3 (0.54) HRH3SMN1; SMN2EHMT2HRH1TSHR
SCHEMBL7094592 0.81 HRH3 (0.54) HRH3SMN1; SMN2TRPM2PARP1EHMT2
SCHEMBL7097649 0.81 EHMT2 (0.55) HRH3EHMT2
SCHEMBL7094760 0.80 HRH3 (0.52) HRH3SMN1; SMN2TRPM2PARP1EHMT2
SCHEMBL7092953 0.79 EHMT2 (0.56) HRH3EHMT2
SCHEMBL7094945 0.79 HRH3 (0.51) HRH3SMN1; SMN2EHMT2HRH1TSHR
SCHEMBL7094573 0.74 HRH3 (0.77) HRH3HRH1
SCHEMBL7092448 0.73 HRH3 (0.52) HRH3HRH1
Hydrochloric Acid SCHEMBL6109241 0.73 HRH3 (0.85) HRH3HRH1
SCHEMBL1307033 0.72 TSHR (0.52) SMN1; SMN2TSHRHTTIDH1

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-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed