SCHEMBL7533129

SCHEMBL7533129

CCNCCCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 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
SCHEMBL13290402 0.89 TAAR1 (0.50) TAAR1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL22067943 0.87 TAAR1 (0.50) TAAR1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL919359 0.81 TAAR1 (0.55) TAAR1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL5242878 0.80 SMN1; SMN2 (0.50) TAAR1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL218485 0.78
SCHEMBL151464 0.78
SCHEMBL7904758 0.77 SIGMAR1 (0.53) TAAR1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL20146704 0.77 TAAR1 (0.73) TAAR1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL20135772 0.77 TAAR1 (0.73) TAAR1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL20689749 0.77 MAOB (0.57) TAAR1SMN1; SMN2MAOBNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149919-A1 AMINOPROPOXYPIPERIDINYLAMIDO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 WO disclosed
WO-2018115064-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-06-28 WO disclosed
EP-3339307-A1 NITROGEN CONTAINING BICYCLIC DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS Laboratorios del Dr. Esteve, S.A. (ES) 2018-06-27 EP disclosed
EP-1198172-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES Bayer Aktiengesellschaft (DE) 2002-04-24 EP disclosed
WO-2000065916-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed