SCHEMBL6246397

SCHEMBL6246397

COc1ccccc1N1CCN(CCC#N)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.69
DRD3 P35462 2/20 0.66
HTR1A P08908 5/20 0.64
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
HTR7 P34969 2/20 0.58
HTR2A P28223 1/20 0.58
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL948083 0.92 DRD2 (0.71) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL30080790 0.92 DRD2 (0.71) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6954563 0.91 HTR1A (0.71) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8131969 0.86 DRD2 (0.69) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL5813483 0.85 ADRA1A (0.67) HTR1AADRA1DADRA1AADRA1B
SCHEMBL4530500 0.84 MAPT (0.51) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6526368 0.83 DRD2 (0.85) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL31060769 0.82 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL3261221 0.82 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8363314 0.82 DRD2 (0.77) DRD2DRD3HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163402-B Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2023-08-04 CN claimed
CN-114163402-A Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2022-03-11 CN claimed
CN-114163402-B Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2023-08-04 CN disclosed
CN-114163402-B Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2023-08-04 CN disclosed
CN-114163402-B Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2023-08-04 CN disclosed
CN-114163402-A Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2022-03-11 CN disclosed
CN-114163402-A Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2022-03-11 CN disclosed
CN-114163402-A Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2022-03-11 CN disclosed
WO-2005037281-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2, 5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONIST RANBAXY LABORATORIES LIMITED (IN) 2005-04-28 WO disclosed
CN-1084619-C Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 2002-05-15 CN disclosed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
CN-1206589-A Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 1999-02-03 CN disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP disclosed