SCHEMBL30320409

SCHEMBL30320409

COc1nccc(C2CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.42
MGLL Q99685 1/20 0.42
HTR6 P50406 6/20 0.41
HTR1A P08908 5/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 3/20 0.39
P2RX7 Q99572 1/20 0.36
CYP17A1 P05093 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL28162777 0.93 HTR6 (0.39) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL28026351 0.80 HTR1A (0.39) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL14998625 0.80 HTR1A (0.39) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL25791837 0.79 HTR1A (0.38) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL25791511 0.76 HTR1A (0.37) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL25793903 0.76 HTR1A (0.37) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL28325131 0.76 IDO1 (0.42) IDO1HTR6P2RX7CYP17A1
SCHEMBL29864687 0.75 IDO1 (0.38) IDO1MGLLHTR6HTR1ASLC6A2
SCHEMBL12093542 0.74 HTR1A (0.57) IDO1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10036999 0.74 ADRA1A (0.35) IDO1MGLLHTR6HTR1ASLC6A2

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-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed