SCHEMBL30454060

SCHEMBL30454060

Brc1cccc(C2=CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.51
SIGMAR1 Q99720 2/20 0.50
QDPR P09417 1/20 0.43
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CDK9 P50750 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5341889 1.00 HTR2C (0.51) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL171110 0.81 SIGMAR1 (0.49) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL14761633 0.81 CDK9 (0.57) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL13490658 0.81 SIGMAR1 (0.49) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL3453255 0.81 HTR2C (0.51) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL171596 0.81 PIM1 (0.51) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL7940586 0.81 SIGMAR1 (0.49) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL31651838 0.81 SIGMAR1 (0.45) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL16434801 0.81 SIGMAR1 (0.45) HTR2CSIGMAR1QDPRPIM1PIM3
SCHEMBL169395 0.80 SIGMAR1 (0.66) HTR2CSIGMAR1QDPRKDM4EALDH1A1

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-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed