SCHEMBL6813871

SCHEMBL6813871

CNc1ccc2c(c1)CC(CN)(CC(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
CALCRL Q16602 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6817608 0.81 ALDH1A1 (0.41) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6822654 0.80 ALDH1A1 (0.42) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817338 0.80 USP2 (0.42) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817539 0.78 LOXL2 (0.41) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817240 0.78 ALDH1A1 (0.44) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817671 0.78 ALDH1A1 (0.41) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817588 0.78 LMNA (0.41) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6813503 0.78 ALDH1A1 (0.41) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6817230 0.78 ALDH1A1 (0.43) ALDH1A1USP2TSHRLMNACYP1A2
SCHEMBL6813461 0.78 ALDH1A1 (0.38) ALDH1A1USP2TSHRLMNACYP1A2

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