SCHEMBL30006023

SCHEMBL30006023

Brc1cn(C2CC2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 3/20 0.42
OPRL1 P41146 13/20 0.42
OPRM1 P35372 11/20 0.42
OPRK1 P41145 9/20 0.41
OPRD1 P41143 3/20 0.39
PRKCG P05129 2/20 0.38
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCH P24723 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKCZ Q05513 2/20 0.38
PRKCD Q05655 2/20 0.38
CAMK2B Q13554 2/20 0.38
CAMK2G Q13555 2/20 0.38
CAMK2D Q13557 2/20 0.38
CAMK2A Q9UQM7 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
SCHEMBL23648082 1.00 KDM4E (0.44) KDM4EMEN1KMT2AHTR6OPRL1
SCHEMBL19869852 0.78 HTR3A (0.38) KDM4EMEN1KMT2A
SCHEMBL18612963 0.77 PTGDR2 (0.51) KDM4EMEN1KMT2AHTR6OPRL1
SCHEMBL28094853 0.77 KDM4E (0.44) KDM4EMEN1KMT2AHTR6OPRL1
SCHEMBL23648384 0.76 OPRM1 (0.36) KDM4EMEN1KMT2AOPRL1OPRM1
SCHEMBL20604757 0.75 HTR3A (0.37) OPRL1OPRM1OPRK1OPRD1CAMK2B
SCHEMBL24117781 0.73 OPRL1 (0.48) KDM4EMEN1KMT2AOPRL1OPRM1
SCHEMBL21600837 0.73 OPRL1 (0.54) KDM4EMEN1KMT2AHTR6OPRL1
SCHEMBL28914516 0.73 OPRL1 (0.48) KDM4EMEN1KMT2AHTR6OPRL1
SCHEMBL18593489 0.73 HTR6 (0.46) KDM4EMEN1KMT2AHTR6OPRL1

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-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed