SCHEMBL25586337

SCHEMBL25586337

Brc1cc(C2CC2)nn1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.40
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
MAP3K12 Q12852 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL19301780 0.79 CRHR1 (0.38) ALDH1A1LMNAL3MBTL1MAPTMAP3K12
SCHEMBL24006492 0.76 GRM2 (0.41) GRM2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL23566750 0.75 CRHR1 (0.40) GRM2KCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL20283020 0.75 CNR1 (0.33) GRM2KCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL3023672 0.73 CRHR1 (0.43) GRM2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL21768453 0.72 GRM2 (0.46) GRM2CNR2
SCHEMBL17673143 0.69 MPO (0.34) LMNA
SCHEMBL24758365 0.67 P2RY14 (0.42) KCNJ6KCNJ5KCNJ3LMNAMAPT
SCHEMBL25213569 0.67 SLC2A1 (0.36) GRM2CNR1CNR2
SCHEMBL17045533 0.67 MAP3K12 (0.38) LMNAMAPTMAP3K12KMT2A

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-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed