SCHEMBL6978205

SCHEMBL6978205

CC1(C(=O)OCN)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
P2RX7 Q99572 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL60903 0.80 BRD4 (0.41) FFAR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL2287208 0.78 BRD4 (0.41) FFAR3ALDH1A1SMN1; SMN2LMNAP2RX7
SCHEMBL16541489 0.78 BRD4 (0.41) FFAR3ALDH1A1SMN1; SMN2LMNAP2RX7
SCHEMBL29642954 0.78 FFAR3 (0.37) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL6887849 0.77 FFAR3 (0.36) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL12306235 0.77 FFAR3 (0.36) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL12987300 0.77 FFAR3 (0.36) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1439148 0.77 ALDH1A1 (0.38) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL11172290 0.77 GAA (0.38) FFAR3ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL265557 0.76 SMN1; SMN2 (0.45) FFAR3ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed