SCHEMBL26604121

SCHEMBL26604121

OCCN1CCN(c2cc(Cl)nc(NC3CCCCC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CNR2 P34972 1/20 0.40
RET P07949 1/20 0.40
SYK P43405 1/20 0.39
HTR6 P50406 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
IGF1R P08069 1/20 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
SCHEMBL30605623 0.92 HRH4 (0.46) HRH4OPRM1OPRK1OPRL1KMT2A
SCHEMBL26604064 0.90 HRH4 (0.42) HRH4RAF1BRAFRETSYK
SCHEMBL30605629 0.90 HRH4 (0.42) HRH4RAF1BRAFRETSYK
SCHEMBL26604109 0.88 HRH4 (0.47) HRH4RETIGF1R
SCHEMBL26604107 0.88 HRH4 (0.47) HRH4RETIGF1R
SCHEMBL30605608 0.87 HRH4 (0.41) HRH4OPRM1OPRK1OPRL1RAF1
SCHEMBL9085486 0.82 HRH4 (0.56) HRH4KMT2AMEN1RAF1BRAF
SCHEMBL30605627 0.80 HRH4 (0.51) HRH4KMT2AMEN1RAF1BRAF
SCHEMBL30605601 0.80 HRH4 (0.51) HRH4OPRM1OPRK1OPRL1KMT2A
SCHEMBL26604138 0.77 RAF1 (0.48) HRH4OPRM1OPRK1OPRL1KMT2A

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-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 WO disclosed