SCHEMBL8201991

SCHEMBL8201991

COc1ccccc1C(=O)n1cc(C(C)C2CCCN2)c2cc(OC3CCCCC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8209788 0.89 ALDH1A1 (0.38) HIF1APDE4BKMT2APTGS1PTGS2
SCHEMBL8213329 0.88 PTGS1 (0.38) PTGS1PTGS2ALDH1A1
SCHEMBL8209083 0.87 PDE4B (0.38) HIF1APDE4BMEN1KMT2APTGS1
SCHEMBL8211654 0.84 PTGS1 (0.35) HIF1AMEN1KMT2APTGS1PTGS2
SCHEMBL8201465 0.76 HTR6 (0.43)
SCHEMBL8208098 0.75 HTR6 (0.48) PDE4BCYP2D6
SCHEMBL8208559 0.75 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL8201598 0.74 AKR1C3 (0.46) KMT2APTGS1
SCHEMBL8208544 0.73 HTR6 (0.44) MEN1KMT2A
SCHEMBL8201984 0.73 HTR6 (0.51) PDE4BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US claimed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO claimed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed