SCHEMBL29924045

SCHEMBL29924045

ClCCc1cc2c(cc1Cl)NCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NOTUM Q6P988 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.31
F7 P08709 1/20 0.30
PARP1 P09874 1/20 0.30
F3 P13726 1/20 0.30
PARP10 Q53GL7 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL30204380 1.00 DRD2 (0.41) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL29923827 0.85 DRD2 (0.40) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8528334 0.85 DRD2 (0.40) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8529136 0.81 DRD2 (0.42) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8529795 0.77 DRD2 (0.52) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL14389921 0.74 DRD2 (0.42) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8658577 0.72 SLC6A4 (0.38) DRD2DRD4
SCHEMBL23384782 0.71 ALDH1A1 (0.53) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8652483 0.71 DRD2 (0.55) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL5827521 0.71 HTR2A (0.47) DRD2DRD4ALDH1A1MAPTNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724066-B Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2022-10-21 CN claimed
CN-112724066-B Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2022-10-21 CN disclosed