SCHEMBL25569166

SCHEMBL25569166

CC1CCCCC1(C)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
CACNA1C Q13936 1/20 0.41
HDAC4 P56524 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
TMEM97 Q5BJF2 4/20 0.40
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL28328011 0.83 SLC6A4 (0.37) SLC6A4OPRM1HDAC4SLC6A3
SCHEMBL16031140 0.81 HDAC4 (0.41) HDAC4
SCHEMBL9770580 0.81 OPRM1 (0.38) OPRK1OPRM1
SCHEMBL25569167 0.79 SLC6A4 (0.40) SLC6A4GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL11812076 0.78 HDAC4 (0.47) HDAC4
SCHEMBL16881740 0.76 SIGMAR1 (0.57) SIGMAR1TMEM97
SCHEMBL28647573 0.76 KDM4E (0.35) SLC6A4SLC6A3
SCHEMBL16029709 0.76 HDAC4 (0.39) OPRM1HDAC4
SCHEMBL11824501 0.75 CCR2 (0.39) LMNAHDAC4
SCHEMBL6390121 0.75 OPRM1 (0.46) SLC6A4OPRK1OPRM1SLC6A3

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
EP-4186889-A1 LONG-ACTING AND LOW-ADDICTION COMPOUND AND PREPARATION METHOD THEREFOR Shenzen Ruijian Biotechnology Co., Ltd. (CN) 2023-05-31 EP disclosed