SCHEMBL21390699

SCHEMBL21390699

Cc1nc2c(F)cc(OCc3ccccc3)cc2n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CYP2D6 P10635 2/20 0.42
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
ALOX5AP P20292 5/20 0.40
HTR3A P46098 1/20 0.39
CDK4 P11802 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
HTR7 P34969 1/20 0.39
CDK2 P24941 1/20 0.39
CDK6 Q00534 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL21391183 0.80 CYP11B2 (0.46) CDK4CDK1CCNB1CCNE1CDK2
SCHEMBL21354754 0.79 HTR3A (0.40) MTORPRKDCALOX5APHTR3A
SCHEMBL30315618 0.79 HTR3A (0.40) MTORPRKDCALOX5APHTR3A
SCHEMBL24846738 0.77 HTR3A (0.38) MTORPRKDCALOX5APHTR3A
SCHEMBL15252331 0.70 CDK9 (0.50) CDK4CDK1CCNB1CCNE1CDK2
SCHEMBL25911521 0.68 CYP3A4 (0.55) PDE10ANPC1RAB9AL3MBTL1MEN1
SCHEMBL14293620 0.68 MAPT (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL2361663 0.68 HRH3 (0.49) HRH3CYP2D6MTORPRKDCPDE10A
SCHEMBL28010853 0.67 PRKDC (0.47) HRH3CYP2D6MTORPRKDCHTR3A
SCHEMBL21017336 0.66 CCNT1 (0.44) CDK4CDK2CDK6L3MBTL1CYP11B2

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed