SCHEMBL4419305

SCHEMBL4419305

CN1C2CCC1CN(c1cc[c]c(C(=O)NCC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC34)n1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
BTK Q06187 1/20 0.34
HTR4 Q13639 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 2/20 0.33
NPY5R Q15761 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GBA1 P04062 1/20 0.33
TSHR P16473 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
SCHEMBL4415706 0.88 HPGD (0.44) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4423656 0.87 BTK (0.39) SMN1; SMN2ALDH1A1POLBRAB9ALMNA
SCHEMBL4414898 0.86 BTK (0.40) SMN1; SMN2ALDH1A1MAPK1POLBRAB9A
SCHEMBL4413362 0.86 GAA (0.43) SMN1; SMN2ALDH1A1POLBRAB9ALMNA
SCHEMBL4414867 0.86 GBA1 (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4421392 0.85 HPGD (0.41) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4418097 0.85 HRH3 (0.39) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4425062 0.85 TSHR (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6500299 0.85 HPGD (0.34) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4424740 0.83 HPGDS (0.37) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed