SCHEMBL5218982

SCHEMBL5218982

Cc1cc(N2CCC(NC(=O)O)CC2)nc(C(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.52
USP2 O75604 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HRH4 Q9H3N8 3/20 0.48
TDP1 Q9NUW8 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SORD Q00796 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
SCHEMBL27643759 0.85 CKS1B (0.52) GBA1USP2HPGDSMN1; SMN2TSHR
SCHEMBL784807 0.84 HRH4 (0.62) GBA1HRH4
SCHEMBL5218581 0.81 USP2 (0.51) USP2HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL5218625 0.80 USP2 (0.50) USP2HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL3281735 0.76 HPGD (0.47) USP2HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL26289473 0.76 CRHBP (0.57) GBA1USP2HPGDSMN1; SMN2TSHR
SCHEMBL5222137 0.74 CKS1B (0.52) HRH4CKS1BSKP1SKP2
SCHEMBL25379567 0.73 GBA1 (0.52) GBA1SMN1; SMN2HRH4SORD
SCHEMBL30306132 0.73 GBA1 (0.52) GBA1SMN1; SMN2HRH4SORD
SCHEMBL27902623 0.73 CKS1B (0.51) USP2HPGDSMN1; SMN2TSHRALDH1A1

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-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed