SCHEMBL7828136

SCHEMBL7828136

[CH2]CC(=O)N(CCN(C)C)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
BCL2A1 Q16548 2/20 0.42
RNF4 P78317 1/20 0.42
PDK2 Q15119 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
LIMK1 P53667 1/20 0.41
OPRM1 P35372 1/20 0.40
HTT P42858 1/20 0.40
MLYCD O95822 1/20 0.40
ALOX5 P09917 1/20 0.40
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL7831239 0.84 TSHR (0.46) TSHRALDH1A1SMN1; SMN2GAABCL2A1
SCHEMBL7826288 0.84 MLYCD (0.43) TSHRALDH1A1SMN1; SMN2TP53OPRM1
SCHEMBL7831241 0.83 TSPO (0.49) TSHRALDH1A1SMN1; SMN2GAAPDK2
SCHEMBL7826854 0.79 PPIB (0.49) ALDH1A1SMN1; SMN2PDK2NPC1TP53
SCHEMBL7831271 0.74 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2GAANPC1
SCHEMBL10893728 0.73 TRPM8 (0.55) TSHRALDH1A1RNF4PDK2NPC1
SCHEMBL14174754 0.72 KDM4E (0.48) ALDH1A1SMN1; SMN2TP53MAPTMLYCD
SCHEMBL7534269 0.72 TSHR (0.46) TSHRSMN1; SMN2BCL2A1RNF4PDK2
SCHEMBL26264796 0.72 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAPDK2NPC1
SCHEMBL14229018 0.70 TP53 (0.55) ALDH1A1SMN1; SMN2NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed