Sugi Predict

Sugi Predict / Compounds / SCHEMBL3877154

SCHEMBL3877154

SCHEMBL3877154

CC1CN(c2ncccc2F)CCN1c1cc(-c2ccc(F)c(F)c2)nc(N2CCCC2C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.39
▸ MAP3K12 Q12852 4/20 0.38
▸ TRPV1 Q8NER1 4/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ KHK P50053 2/20 0.35

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
SCHEMBL13761538 1.00 GRM1 (0.39) GRM1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3882335 0.92 TRPV1 (0.47) MAP3K12TRPV1CHRM4SYK
SCHEMBL3880542 0.92 TRPV1 (0.47) MAP3K12TRPV1CHRM4SYK
SCHEMBL3876192 0.92 TRPV1 (0.47) MAP3K12TRPV1CHRM4SYK
SCHEMBL3878509 0.92 TRPV1 (0.47) MAP3K12TRPV1CHRM4SYK
SCHEMBL3877910 0.92 TRPV1 (0.47) MAP3K12TRPV1CHRM4SYK
SCHEMBL3877937 0.92 DYRK1A (0.38) GRM1MAP3K12TRPV1DYRK1ACHRM4
SCHEMBL3876057 0.91 GRM1 (0.40) GRM1MAP3K12TRPV1
SCHEMBL3877753 0.91 TRPV1 (0.46) TRPV1KHK
SCHEMBL3890114 0.91 TRPV1 (0.46) TRPV1KHK

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