SCHEMBL25436244

SCHEMBL25436244

CCCN1CCC(C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.44
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL18976755 0.88 DRD2 (0.39) DRD2DRD3
SCHEMBL19538652 0.84 GNAO1 (0.58) KCNH2GNAI3GNAO1GNAI1
SCHEMBL26784070 0.83 DRD2 (0.42) DRD2ALDH1A1SMN1; SMN2GNAI3GNAO1
SCHEMBL5184021 0.82 SMN1; SMN2 (0.42) DRD2SMN1; SMN2DRD3KCNH2
SCHEMBL5184024 0.82 SMN1; SMN2 (0.42) DRD2SMN1; SMN2DRD3KCNH2
SCHEMBL23434543 0.80 DRD2 (0.40) DRD2ALDH1A1SMN1; SMN2
SCHEMBL179383 0.80 DRD2 (0.44) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL1473088 0.78 KMT2A (0.46) DRD2ALDH1A1SMN1; SMN2DRD3KCNH2
SCHEMBL597482 0.78 ALOX15 (0.50) DRD2DRD3KCNH2GNAI3GNAO1
SCHEMBL4182146 0.78 DRD3 (0.37) DRD2DRD3KCNH2SLC6A4

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
WO-2023177700-A2 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2023-09-21 WO disclosed
WO-2023171736-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE 帝人ファーマ株式会社 2023-09-14 WO disclosed