SCHEMBL2652984

SCHEMBL2652984

C[C@H](CO)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
KIF11 P52732 6/20 0.46
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TRPV3 Q8NET8 2/20 0.41
ACP3 P15309 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
FDFT1 P37268 1/20 0.40
TRPA1 O75762 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
SCHEMBL2651107 0.87 MAOB (0.44) MAOBKIF11PSEN1PSEN2APH1B
SCHEMBL14513508 0.82 MAOB (0.52) MAOBKIF11PSEN1PSEN2APH1B
SCHEMBL4608415 0.79 ALDH1A1 (0.41) ALDH1A1FDFT1
SCHEMBL2654304 0.79 RXRA (0.47) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL13003550 0.78 ALDH1A1 (0.46) MAOBALDH1A1HTR2AHTR2CHTR2B
SCHEMBL444104 0.78 TSHR (0.55) TRPA1
SCHEMBL8283173 0.78 TRPA1 (0.52) ALDH1A1ACP3TRPA1
SCHEMBL8323180 0.78 TSHR (0.55) TRPA1
SCHEMBL8967452 0.78 TSHR (0.55) TRPA1
SCHEMBL16379332 0.77 TMEM97 (0.50) MAOBALDH1A1FDFT1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed