SCHEMBL13766201

SCHEMBL13766201

Cc1cccnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCCC3)n2)[C@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPV1 Q8NER1 5/20 0.43
SMO Q99835 1/20 0.39
GALR2 O43603 2/20 0.39
GALR1 P47211 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AVPR1A P37288 1/20 0.37
FAAH O00519 1/20 0.36
MAP3K12 Q12852 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL13766119 0.92 TRPV1 (0.43) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL3880752 0.90 TRPV1 (0.47) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL3879871 0.89 TRPV1 (0.48) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL13761516 0.89 TRPV1 (0.48) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL3877829 0.89 GALR2 (0.49) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL13761487 0.88 TRPV1 (0.48) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL3991603 0.85 HSD17B10 (0.43) HSD17B10MAPK1KDM4ETP53ALDH1A1
SCHEMBL3885588 0.84 TRPV1 (0.49) TRPV1GALR2GALR1
SCHEMBL3879767 0.84 TRPV1 (0.49) TRPV1GALR2GALR1
SCHEMBL3881431 0.84 TRPV1 (0.42) HSD17B10KDM4ETRPV1LMNAHPGD

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-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed