SCHEMBL7962478

SCHEMBL7962478

Oc1cccc2c1ccn2Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
APP P05067 4/20 0.47
SNCA P37840 3/20 0.47
DHPS P49366 1/20 0.47
HTR2C P28335 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CYP11B1 P15538 1/20 0.44
CHRM1 P11229 1/20 0.43
HTR6 P50406 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
IDO1 P14902 1/20 0.41
GRIN2B Q13224 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL8616920 0.82 HTR6 (0.60) SRCAPPSNCAHTR2CHTR6
SCHEMBL7809472 0.76 KMT2A (0.60) APPSNCACYP11B1HTR6CHRNB2
SCHEMBL7736703 0.75 EGLN1 (0.59) APPHTR2CHTR6KDM4ELMNA
SCHEMBL22547192 0.74 HTR2C (0.49) APPSNCAHTR2CHTR6
SCHEMBL22547180 0.72 HTR2C (0.48) APPSNCAHTR2CHTR6
SCHEMBL22533784 0.72 HTR2C (0.48) APPSNCAHTR2CHTR6
SCHEMBL17127823 0.72 GRIN2B (0.50) SRCDHPSCNR1CNR2CYP11B1
SCHEMBL17372069 0.71 HTR2C (0.62) APPSNCAHTR2CCNR1CNR2
SCHEMBL4321418 0.71 HTR2C (0.60) APPSNCAHTR2CHTR6KDM4E
SCHEMBL22533614 0.70 HTR2C (0.46) APPSNCAHTR2CHTR6

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
WO-2001074803-A1 METHOD FOR PREPARING 3-(4-HYDROXY-1H-INDOL-YLMETHYL)-PYRIDINIUM COMPOUNDS USING AN ALDOLISATION REACTION L'OREAL (FR) 2001-10-11 WO disclosed