SCHEMBL7096511

SCHEMBL7096511

Brc1cc2c(cc1OCCN1CCCCC1)NCC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7094592 0.85 HRH3 (0.54) HRH3SMN1; SMN2EHMT2TSHRHRH1
SCHEMBL7097649 0.84 EHMT2 (0.55) HRH3EHMT2
SCHEMBL7094760 0.82 HRH3 (0.52) HRH3SMN1; SMN2EHMT2HRH1KDM4E
SCHEMBL7092953 0.82 EHMT2 (0.56) HRH3EHMT2
SCHEMBL7094490 0.81 HRH3 (0.51) HRH3SMN1; SMN2EHMT2TSHRHRH1
SCHEMBL7094945 0.81 HRH3 (0.51) HRH3SMN1; SMN2EHMT2TSHRHRH1
SCHEMBL7094573 0.76 HRH3 (0.77) HRH3HRH1
Hydrochloric Acid SCHEMBL6109241 0.75 HRH3 (0.85) HRH3HRH1KMT2A
SCHEMBL7092448 0.75 HRH3 (0.52) HRH3HRH1
SCHEMBL8612335 0.75 HTR7 (0.44) HRH3SMN1; SMN2KDM4E

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