SCHEMBL8313816

SCHEMBL8313816

COCCCN1C(=O)CC(=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR7 P34969 2/20 0.40
DRD2 P14416 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
RECQL P46063 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL11839637 0.83 MAPT (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL24335207 0.82 KDM4E (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL8317220 0.82 OPRM1 (0.42) MAPTLMNAMEN1KMT2AHTR7
SCHEMBL1239067 0.80 KMT2A (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL24359573 0.80 EPHX2 (0.56) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL11551265 0.75 BRPF1 (0.59) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13729308 0.74 KMT2A (0.64) MAPTMEN1KMT2AALDH1A1DRD2
SCHEMBL3797554 0.73 ALDH1A1 (0.41) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13618147 0.71 DRD2 (0.61) MEN1KMT2AALDH1A1TSHRDRD2
SCHEMBL8311042 0.71 ALDH1A1 (0.41) MAPTLMNAKMT2AALDH1A1CYP1A2

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed