SCHEMBL3973324

SCHEMBL3973324

CC(Cc1cncc2cc[nH]c12)C(C)OCc1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
CYP19A1 P11511 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL21764030 0.73 GABRA1 (0.32)
SCHEMBL21587147 0.68 IDO1 (0.48) TRPA1TAAR1
Hydrochloric Acid SCHEMBL3966923 0.62 NPC1 (0.35)
SCHEMBL21334962 0.62 AHR (0.32)
SCHEMBL6676589 0.61 IDO1 (0.52) TRPA1TAAR1
SCHEMBL15637141 0.60 TNF (0.44)
SCHEMBL18237938 0.59 AHR (0.34) TAAR1
SCHEMBL8781581 0.58 IDO1 (0.54) TRPA1TAAR1
SCHEMBL7284728 0.58 IDO1 (0.48) TRPA1TAAR1
SCHEMBL2308449 0.58 IDO1 (0.48) TRPA1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805177-A4 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-07-29 EP disclosed
EP-1805177-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-07-11 EP disclosed
WO-2006025715-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed