SCHEMBL6163447

SCHEMBL6163447

O=C(c1cc(-c2ccc(F)c(F)c2)nc2c(F)cccc12)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
POLB P06746 2/20 0.53
AURKA O14965 1/20 0.51
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 1/20 0.50
PLAUR Q03405 3/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MOK Q9UQ07 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6167121 0.90 TRPV1 (0.57) TRPV1POLBAURKACYP2C9KMT2A
SCHEMBL6164543 0.85 POLB (0.69) TRPV1POLBCYP2C9KMT2ARAB9A
SCHEMBL6164135 0.84 TRPV1 (0.52) TRPV1POLBAURKACYP2C9PLAUR
SCHEMBL6167175 0.81 RAB9A (0.50) TRPV1AURKAPLAURRAB9A
SCHEMBL6165844 0.81 RAB9A (0.50) TRPV1AURKAPLAURRAB9A
SCHEMBL6163701 0.81 RAB9A (0.50) TRPV1AURKAPLAURRAB9A
SCHEMBL6163443 0.80 POLB (0.53) POLBCYP2C9KMT2ARAB9ATDP1
SCHEMBL6166298 0.76 POLB (0.66) POLBCYP2C9KMT2ARAB9ATDP1
SCHEMBL6162175 0.76 POLB (0.53) TRPV1POLBCYP2C9KMT2APLAUR
SCHEMBL6163311 0.76 POLB (0.65) TRPV1POLBCYP2C9KMT2ARAB9A

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-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed