SCHEMBL7835941

SCHEMBL7835941

O=C(CNC(=O)c1ccc(Cl)cc1NC1=NCCCCC1)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 5/20 0.43
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP51A1 Q16850 1/20 0.38
KMT2A Q03164 1/20 0.38
CCKAR P32238 4/20 0.37
CCKBR P32239 4/20 0.37
POLB P06746 1/20 0.37
CMKLR2 P46091 1/20 0.37
CMKLR1 Q99788 1/20 0.37
TSHR P16473 1/20 0.37
FOLH1 Q04609 1/20 0.36
MC4R P32245 1/20 0.36
PYGL P06737 1/20 0.36

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
SCHEMBL6777438 0.86 GPR132 (0.43) GPR132HSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL7835935 0.84 SUCNR1 (0.45)
SCHEMBL6778181 0.82 GPR132 (0.45) GPR132HSD17B10KMT2ACMKLR2CMKLR1
SCHEMBL6774904 0.78 GPR132 (0.47) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL7835830 0.73 ITGB3 (0.47) KMT2A
SCHEMBL7341395 0.72 MEN1 (0.42) GPR132HSD17B10KMT2ACMKLR2CMKLR1
SCHEMBL6778020 0.72 ITGB3 (0.48) KMT2A
SCHEMBL6777425 0.70 SUCNR1 (0.45)
SCHEMBL6777155 0.69 ITGB3 (0.48) KMT2A
SCHEMBL7836758 0.69 NLRP3 (0.41) GPR132KMT2ACMKLR2CMKLR1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed