SCHEMBL6817588

SCHEMBL6817588

NCC1(CC(=O)O)Cc2ccc(Br)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6813502 0.84 USP2 (0.46) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6817338 0.83 USP2 (0.42) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6822654 0.83 ALDH1A1 (0.42) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6817671 0.82 ALDH1A1 (0.41) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6813503 0.82 ALDH1A1 (0.41) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6817608 0.82 ALDH1A1 (0.41) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6817240 0.82 ALDH1A1 (0.44) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6818072 0.80 USP2 (0.48) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6817244 0.79 LMNA (0.40) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL6813871 0.78 ALDH1A1 (0.38) LMNAUSP2ALDH1A1CYP1A2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP claimed
EP-1180094-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-20 EP claimed
WO-2000073259-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO claimed
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP disclosed
EP-1180094-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-20 EP disclosed
WO-2000073259-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO disclosed