SCHEMBL7496643

SCHEMBL7496643

Fc1ccc(/C(=C2/CCCCN2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
OPRD1 P41143 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7328025 1.00 RAB9A (0.47) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL7224610 0.93 KDM4E (0.40) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL5764963 0.90 NPC1 (0.54) RAB9ANPC1HPGDSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10749720 0.88 NPC1 (0.53) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL8366194 0.74 HPGD (0.44) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL8911535 0.74 HPGD (0.44) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL5766519 0.73 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL5766517 0.73 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL8314711 0.71 OPRD1 (0.58) OPRD1DRD2DRD4HTR2AHTR2C
SCHEMBL1144315 0.70 RAB9A (0.56) RAB9ANPC1HPGDSMN1; SMN2MEN1

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
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed