SCHEMBL9627281

SCHEMBL9627281

CNC(C)CCCc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SIGMAR1 Q99720 1/20 0.52
CALM1 P0DP23 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL178504 0.89 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL487003 0.87 SIGMAR1 (0.43) HTTSMN1; SMN2SIGMAR1TAAR1
SCHEMBL8158210 0.82 CALM1 (0.58) HTTSMN1; SMN2SIGMAR1CALM1MEN1
SCHEMBL9628206 0.79 SIGMAR1 (0.50) HTTSIGMAR1CALM1MEN1KMT2A
SCHEMBL10654362 0.79 SLC6A4 (0.61) HTTSMN1; SMN2SIGMAR1CALM1TAAR1
SCHEMBL23875151 0.79 SIGMAR1 (0.50) HTTSIGMAR1CALM1MEN1KMT2A
SCHEMBL12888466 0.79 CALM1 (0.59) HTTSMN1; SMN2SIGMAR1CALM1KMT2A
SCHEMBL10697363 0.79 CALM1 (0.59) HTTSMN1; SMN2SIGMAR1CALM1KMT2A
SCHEMBL896368 0.78 SLC6A4 (0.60) SIGMAR1MEN1KMT2AL3MBTL1TAAR1
SCHEMBL178622 0.78 SLC6A4 (0.60) SIGMAR1MEN1KMT2AL3MBTL1TAAR1

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed