SCHEMBL6177901

SCHEMBL6177901

COc1ccccc1C1CCN(C[C@@H](Cc2ccccc2)NC(=O)C2(C)CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
DRD4 P21917 3/20 0.50
HTR1A P08908 1/20 0.50
DRD3 P35462 1/20 0.50
DRD2 P14416 2/20 0.46
CHRM4 P08173 1/20 0.46
MAPK1 P28482 1/20 0.44
OPRM1 P35372 1/20 0.43
ATM Q13315 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
CACNA1G O43497 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPA1 O75762 1/20 0.41
TACR2 P21452 1/20 0.41

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
SCHEMBL6180627 0.93 DRD4 (0.51) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL6176842 0.91 DRD4 (0.63) MEN1KMT2ADRD4HTR1ADRD3
Cyclohexane SCHEMBL6179896 0.88 MEN1 (0.57) MEN1KMT2ADRD4HTR1ADRD2
SCHEMBL6178285 0.85 MEN1 (0.55) MEN1KMT2ADRD4HTR1ADRD2
Cyclohexane SCHEMBL6181887 0.84 MEN1 (0.50) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6176194 0.84 MEN1 (0.52) MEN1KMT2ADRD4HTR1ADRD2
SCHEMBL6179800 0.81 MEN1 (0.53) MEN1KMT2ADRD4HTR1ADRD2
SCHEMBL6181828 0.78 MEN1 (0.45) MEN1KMT2ADRD4HTR1ADRD2
SCHEMBL6178731 0.78 PPARG (0.49) DRD4HTR1ADRD3ITGB1ITGA4
SCHEMBL6177540 0.76 MEN1 (0.46) MEN1KMT2ADRD4HTR1ADRD3

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-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US claimed
EP-1140830-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
WO-2000035874-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed