SCHEMBL10345374

SCHEMBL10345374

Oc1cc2c(cc1SC(F)(F)F)CCCCN2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
NR1H3 Q13133 2/20 0.35
ACHE P22303 3/20 0.35
KCNQ2 O43526 4/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
P2RY1 P47900 1/20 0.31

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
SCHEMBL6441679 0.81 LMNA (0.43) SCN9AACHEKCNQ2OPRM1OPRD1
Bromide SCHEMBL11466962 0.79 SMN1; SMN2 (0.30) SCN9AKDM4E
Phosphoric Acid SCHEMBL10790954 0.76 TSHR (0.39) SCN9AACHEKCNQ2OPRM1OPRD1
SCHEMBL10790946 0.70 SRC (0.36) SCN9AACHEKCNQ2OPRM1OPRD1
SCHEMBL618870 0.67 OPRM1 (0.48) OPRM1LMNATSHR
SCHEMBL2096904 0.67 DRD1 (0.48) ACHE
SCHEMBL17602223 0.67 DRD1 (0.48) ACHEOPRM1OPRD1OPRK1
SCHEMBL17276390 0.67 ACHE (0.46) ACHEOPRM1OPRD1OPRK1
SCHEMBL7620197 0.67 DRD1 (0.45) LMNATSHRNPSR1KDM4E
Bromide SCHEMBL11460380 0.67 POLB (0.35) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 EP disclosed