SCHEMBL8699079

SCHEMBL8699079

CC(C1CCCCN1C(=O)C1CCc2ccccc2C1)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
FAAH O00519 4/20 0.37
IDH1 O75874 1/20 0.37
P2RX7 Q99572 1/20 0.37
GHSR Q92847 1/20 0.37
CYP17A1 P05093 1/20 0.36
PREP P48147 5/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
TBXA2R P21731 2/20 0.35

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
SCHEMBL8701847 0.76 CYP19A1 (0.39) CYP17A1PREPMAPTALOX15TSHR
SCHEMBL8699551 0.76 HPGD (0.42) CYP17A1TBXA2R
SCHEMBL8699080 0.75 TBXAS1 (0.47) F2PREP
SCHEMBL8696293 0.74 NPC1 (0.47) KMT2ATBXA2R
SCHEMBL8699084 0.74 USP7 (0.45) CYP17A1TSHRKMT2A
Hydrochloric Acid SCHEMBL8695560 0.73 NPC1 (0.47) F2KMT2ATBXA2R
SCHEMBL8701241 0.73 MEN1 (0.56) FAAHPREPKMT2ATBXA2R
SCHEMBL7294364 0.70 F2 (0.56) F2PREPTSHR
SCHEMBL24026087 0.70 F2 (0.53) F2FAAHPREPKMT2A
SCHEMBL7300952 0.69 PREP (0.63) F2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed