SCHEMBL30980941

SCHEMBL30980941

CO[C@H]1CC[C@H](n2cnc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
SLC6A4 P31645 1/20 0.57
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.47
FPR2 P25090 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
EGFR P00533 3/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL432010 0.87 DRD2 (0.65) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL11562405 0.80 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL3931858 0.80 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL15205752 0.80 EGFR (0.46) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL15205751 0.80 EGFR (0.46) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL1012326 0.80 DRD2 (0.57) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL6211429 0.79 OPRM1 (0.63) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL3730443 0.78 DRD2 (0.72) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL11077040 0.78 DRD2 (0.58) DRD2SLC6A4OPRM1OPRL1PKM
SCHEMBL3290233 0.76 DRD2 (0.57) DRD2SLC6A4OPRM1OPRL1PKM

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
CN-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed