SCHEMBL7094760

SCHEMBL7094760

CCc1cc2c(cc1OCCN1CCCCC1)NCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
EHMT2 Q96KQ7 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM2 O94759 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH1 P35367 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
SCHEMBL7097649 0.84 EHMT2 (0.55) HRH3EHMT2
SCHEMBL7096511 0.82 HRH3 (0.54) HRH3SMN1; SMN2EHMT2MEN1KMT2A
SCHEMBL7094592 0.82 HRH3 (0.54) HRH3SMN1; SMN2EHMT2MEN1KMT2A
SCHEMBL7092953 0.82 EHMT2 (0.56) HRH3EHMT2
SCHEMBL7094945 0.80 HRH3 (0.51) HRH3SMN1; SMN2EHMT2KDM4EHRH1
SCHEMBL7094490 0.80 HRH3 (0.51) HRH3SMN1; SMN2EHMT2TRPM2PARP1
SCHEMBL8615260 0.77 NOS3 (0.39) HRH3SMN1; SMN2TDP1PARP1KDM4E
SCHEMBL7094573 0.74 HRH3 (0.77) HRH3HRH1
SCHEMBL7092448 0.73 HRH3 (0.52) HRH3HRH1
Hydrochloric Acid SCHEMBL6109241 0.73 HRH3 (0.85) HRH3KMT2AHRH1

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