SCHEMBL5092003

SCHEMBL5092003

O=C1CC[C@@H]2CCCC(c3ccc(F)cc3)N12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRPA1 O75762 3/20 0.42
P2RX7 Q99572 4/20 0.41
HTT P42858 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL2585749 1.00 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4522287 1.00 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4087896 0.94 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4511395 0.94 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4511392 0.94 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4511780 0.94 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4512076 0.92 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL2581567 0.84 P2RX7 (0.41) ALDH1A1TSHRMEN1KMT2AP2RX7
SCHEMBL2585743 0.83 TRPA1 (0.38) ALDH1A1TSHRMEN1KMT2ATRPA1
SCHEMBL4514655 0.81 TSHR (0.42) ALDH1A1TSHRMEN1KMT2ATRPA1

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-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed