SCHEMBL30301397

SCHEMBL30301397

O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.69
DRD1 P21728 1/20 0.69
HTR1A P08908 4/20 0.64
POLB P06746 1/20 0.60
CCR3 P51677 1/20 0.59
DRD3 P35462 1/20 0.57
DRD4 P21917 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
PMP22 Q01453 1/20 0.57
SLC6A4 P31645 1/20 0.56

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
SCHEMBL27008246 1.00 DRD2 (0.69) DRD2DRD1HTR1APOLBCCR3
SCHEMBL30389686 0.88 HTR1A (0.65) DRD2DRD1HTR1ADRD3MAPT
SCHEMBL24076569 0.88 HTR1A (0.65) DRD2DRD1HTR1ADRD3MAPT
SCHEMBL30301412 0.85 DRD2 (0.66) DRD2DRD1HTR1APOLBDRD3
SCHEMBL24076498 0.85 DRD2 (0.66) DRD2DRD1HTR1APOLBDRD3
SCHEMBL6396896 0.84 KMT2A (0.65) HTR1APOLBCCR3MAPT
SCHEMBL27014520 0.82 CCR3 (0.82) HTR1APOLBCCR3DRD4MAPT
SCHEMBL30389381 0.82 CCR3 (0.82) HTR1APOLBCCR3DRD4MAPT
SCHEMBL30301391 0.82 DRD2 (0.74) DRD2HTR1ADRD3DRD4SLC6A4
SCHEMBL27014523 0.82 DRD2 (0.74) DRD2HTR1ADRD3DRD4SLC6A4

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