SCHEMBL6589369

SCHEMBL6589369

COc1nsnc1N1CCN(CC(Cc2ccccc2)N(C)C(=O)ON2CCOCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.72
ALDH1A1 P00352 6/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.40
ABHD6 Q9BV23 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6589548 0.88 HTR1A (0.74) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6588749 0.84 HTR1A (1.00) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6588614 0.75 HTR1A (0.66) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6586728 0.75 HTR1A (0.66) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6588617 0.72 HTR1A (0.61) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6586733 0.72 HTR1A (0.61) HTR1AALDH1A1TSHRLMNAALOX15
SCHEMBL6586789 0.64 HTR1A (0.61) HTR1AALDH1A1TSHRALOX15HSD17B10
Hydrochloric Acid SCHEMBL4728303 0.62 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MAPK1KMT2A
SCHEMBL7398030 0.61 MMP8 (0.53) ALDH1A1LMNAHSD17B10KMT2APOLB
SCHEMBL17244724 0.61 ALDH1A1 (1.00) HTR1AALDH1A1TSHRLMNAALOX15

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
EP-1161424-B1 NEW DIAZOLE DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-06-02 EP claimed