SCHEMBL30301412

SCHEMBL30301412

O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.66
DRD3 P35462 7/20 0.66
ADRA1A P35348 2/20 0.66
POLB P06746 1/20 0.58
DRD4 P21917 1/20 0.56
DRD1 P21728 1/20 0.55
HTR1A P08908 5/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL24076498 1.00 DRD2 (0.66) DRD2DRD3ADRA1APOLBDRD4
SCHEMBL30301397 0.85 DRD2 (0.69) DRD2DRD3POLBDRD4DRD1
SCHEMBL27008246 0.85 DRD2 (0.69) DRD2DRD3POLBDRD4DRD1
SCHEMBL30389513 0.83 DRD3 (0.74) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL27014500 0.83 DRD3 (0.74) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL11439568 0.81 DRD3 (0.65) DRD2DRD3ADRA1APOLBHTR1A
SCHEMBL11286122 0.81 DRD3 (0.56) DRD2DRD3ADRA1APOLBHTR1A
Fluprazine SCHEMBL2110425 0.81 DRD2 (0.62) DRD2DRD3ADRA1APOLBHTR1A
Fluprazine SCHEMBL29445768 0.81 DRD2 (0.62) DRD2DRD3ADRA1APOLBHTR1A
SCHEMBL8272365 0.81 ALDH1A1 (0.63) DRD2DRD3ADRA1APOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057049-A Carboxamide derivatives and pharmaceutical composition for preventing or treating mental diseases containing the same as active ingredient 大邱庆北尖端医疗产业振兴财团 2023-05-02 CN claimed
CN-116057049-A Carboxamide derivatives and pharmaceutical composition for preventing or treating mental diseases containing the same as active ingredient 大邱庆北尖端医疗产业振兴财团 2023-05-02 CN disclosed
EP-4159725-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 EP disclosed