SCHEMBL26466916

SCHEMBL26466916

Cc1cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC2(C(F)(F)F)CC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
TMEM97 Q5BJF2 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CACNA1H O95180 3/20 0.40
KCNJ6 P48051 2/20 0.39
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 0.39
LTA4H P09960 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL26466250 0.88 HPGD (0.49) CACNA1HMAPTHPGDTSHR
SCHEMBL26466243 0.88 HPGD (0.49) CACNA1HMAPTHPGDTSHR
SCHEMBL26466594 0.88 HPGD (0.49) CACNA1HMAPTHPGDTSHR
SCHEMBL26466926 0.87 ALDH1A1 (0.47) MAPTHPGDTSHR
SCHEMBL26466912 0.84 CACNA1H (0.38) CACNA1HLTA4HMAPTHPGD
SCHEMBL26466917 0.83 SIGMAR1 (0.46) SIGMAR1TMEM97DRD4DRD3CACNA1H
SCHEMBL26466909 0.82 CACNA1H (0.44) DRD4DRD3CACNA1HLTA4HMAPT
SCHEMBL26466233 0.81 CACNA1H (0.53) CACNA1HLTA4H
SCHEMBL26466415 0.81 CACNA1H (0.53) CACNA1HLTA4H
SCHEMBL26466919 0.80 CACNA1H (0.42) CACNA1HLTA4HMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed