SCHEMBL8196863

SCHEMBL8196863

COc1cc(C(C)N)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ALDH1A1 P00352 3/20 0.45
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
DYRK1A Q13627 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ACHE P22303 2/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
Hydrochloric Acid SCHEMBL17095311 0.98 ADRB2 (0.45) ADRB2ALDH1A1AKR1C3AKR1C2DYRK1A
SCHEMBL14239938 0.85 ADRB2 (0.47) ADRB2ALDH1A1GAANPC1ACHE
SCHEMBL4677974 0.85 ADRB2 (0.47) ADRB2ALDH1A1GAANPC1ACHE
SCHEMBL29809537 0.85 ADRB2 (0.47) ADRB2ALDH1A1GAANPC1ACHE
SCHEMBL1104690 0.84 ALDH1A1 (0.47) ALDH1A1AKR1C3AKR1C2DYRK1AGAA
SCHEMBL11838725 0.84 ALDH1A1 (0.47) ALDH1A1AKR1C3AKR1C2DYRK1AGAA
Hydrochloric Acid SCHEMBL28803118 0.83 ADRB2 (0.45) ADRB2ALDH1A1GAANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL14121526 0.83 ADRB2 (0.45) ADRB2ALDH1A1GAANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL14157334 0.83 ADRB2 (0.45) ADRB2ALDH1A1GAANPC1SMN1; SMN2
SCHEMBL17541514 0.82 ALDH1A1 (0.46) ALDH1A1AKR1C3AKR1C2DYRK1AGAA

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-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed