SCHEMBL8330797

SCHEMBL8330797

COC1CCCn2c(-c3cccnc3F)c(Cl)c(C(=O)O)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.36
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
BACE1 P56817 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
PER2 O15055 2/20 0.32
CRY2 Q49AN0 1/20 0.32
FFAR4 Q5NUL3 4/20 0.32
HCRTR1 O43613 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
ABL1 P00519 1/20 0.31
SCN9A Q15858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7965681 0.92 FPR1 (0.33) DHODHFPR1FPR2BACE1PER2
SCHEMBL7961641 0.91 BACE1 (0.34) DHODHFPR1FPR2BACE1PER2
SCHEMBL7961758 0.91 FPR1 (0.35) FPR1FPR2BACE1HCRTR1PDE4B
SCHEMBL8326401 0.90 DHODH (0.37) DHODHPER2HCRTR1KMT2A
SCHEMBL8330821 0.86 DHODH (0.36) DHODHFPR1FPR2NAPRTFFAR4
SCHEMBL7965050 0.82 CYP2C19 (0.33) DHODHPER2HCRTR1PDE4B
SCHEMBL7964338 0.81 CYP11B2 (0.35) BACE1
SCHEMBL7961198 0.81 MEN1 (0.34) PDE4BKMT2A
SCHEMBL7962835 0.81 ALDH1A1 (0.33) DHODHPER2HCRTR1SCN9A
SCHEMBL7964731 0.80 FPR1 (0.35) FPR1FPR2PDE4BPDE4DABL1

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-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed