SCHEMBL8326401

SCHEMBL8326401

COC1CCCn2c(-c3cccnc3Cl)c(Cl)c(C(=O)O)c21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.37
FAAH O00519 3/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
IDO1 P14902 1/20 0.31
PER2 O15055 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7965050 0.92 CYP2C19 (0.33) DHODHFAAHCYP2C19HCRTR1HCRTR2
SCHEMBL7961198 0.91 MEN1 (0.34) CYP2C19LMNASMN1; SMN2KMT2AIDO1
SCHEMBL7962835 0.91 ALDH1A1 (0.33) DHODHFAAHCYP2C19HCRTR1HCRTR2
SCHEMBL8330797 0.90 DHODH (0.36) DHODHHCRTR1KMT2APER2
SCHEMBL8330160 0.85 DHODH (0.38) DHODHFAAHCYP2C19LMNASMN1; SMN2
SCHEMBL7965681 0.82 FPR1 (0.33) DHODHHCRTR1PER2
SCHEMBL8328200 0.82 CHRNB1 (0.35) KMT2APOLBALDH1A1
SCHEMBL7961758 0.81 FPR1 (0.35) LMNASMN1; SMN2HCRTR1KMT2AIDO1
SCHEMBL7961641 0.81 BACE1 (0.34) DHODHHCRTR1PER2
SCHEMBL7961100 0.80 DPP4 (0.33)

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