SCHEMBL6165007

SCHEMBL6165007

O=C(c1c(-c2ccccc2)cnc2ccc(F)cc12)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
RIPK1 Q13546 1/20 0.42
PTK2 Q05397 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6165961 0.86 FABP3 (0.48) HPGDTSHRRECQL
SCHEMBL3775607 0.82 DHODH (0.56) DHODH
SCHEMBL18224106 0.77 DHODH (0.49) DHODH
SCHEMBL6163182 0.74 DHODH (0.65) DHODHALDH1A1TSHR
SCHEMBL18225008 0.73 AR (0.46) DHODHMAPT
SCHEMBL25134836 0.70 ALDH1A1 (0.77) ALDH1A1
SCHEMBL25135076 0.70 ALDH1A1 (0.59) ALDH1A1
SCHEMBL25135075 0.69 ALDH1A1 (0.79) ALDH1A1
SCHEMBL8557062 0.69 GABRA1 (0.57) HPGDALDH1A1TSHRRECQLPTK2
SCHEMBL6166072 0.68 DHODH (0.60) DHODHALDH1A1

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