SCHEMBL6587595

SCHEMBL6587595

O=C([CH]Cc1ccccc1)N1CCN(c2nsnc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CDK1 P06493 3/20 0.39
IGF1R P08069 3/20 0.39
FGFR1 P11362 3/20 0.39
BRAF P15056 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
JAK1 P23458 3/20 0.39
CDK2 P24941 3/20 0.39
AXL P30530 3/20 0.39
CDK5 Q00535 3/20 0.39
PTK2B Q14289 3/20 0.39
GRM5 P41594 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6587599 0.81 KMT2A (0.60) HTR1AALDH1A1TSHRMEN1KMT2A
SCHEMBL6586745 0.76 HTR1A (0.48) HTR1AALDH1A1ALOX15TSHRMAPK1
SCHEMBL4314831 0.75 HTR1A (0.41) HTR1AALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL6589346 0.75 HTR1A (0.58) HTR1AALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6586642 0.75 HTR1A (0.55) HTR1AALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4422938 0.74 NPC1 (0.53) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4555805 0.72 MAPT (0.48) HTR1AALDH1A1ALOX15TSHRMAPK1
SCHEMBL6589366 0.71 HTR1A (0.61) HTR1AMEN1KMT2AAKT1
SCHEMBL6161203 0.71 MAPK1 (0.40) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL6586356 0.71 HTR1A (0.44) HTR1AAKT1RBP4HTR7

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 disclosed