SCHEMBL6624307

SCHEMBL6624307

CCN(C(=O)C(F)(F)F)c1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
KLKB1 P03952 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ENPP2 Q13822 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
MLYCD O95822 1/20 0.36
POLQ O75417 1/20 0.36
HTR2C P28335 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL8279007 0.82 GRM5 (0.45) LOXL2KLKB1SIGMAR1ENPP2HTR2C
Hydrochloric Acid SCHEMBL4934804 0.81 GRM5 (0.44) LOXL2ALDH1A1KLKB1SIGMAR1ENPP2
SCHEMBL27756954 0.81 LOXL2 (0.43) LOXL2ALDH1A1GLATSHRSIGMAR1
SCHEMBL31211562 0.78 ALDH1A1 (0.63) ALDH1A1GLATSHRMLYCDCYP3A4
SCHEMBL3510031 0.74 ALDH1A1 (0.55) LOXL2ALDH1A1TSHRENPP2NOS1
SCHEMBL27262066 0.72 MEN1 (0.47) ALDH1A1GLATSHRSIGMAR1HDAC8
SCHEMBL28141067 0.72 LOXL2 (0.43) LOXL2ALDH1A1TSHRENPP2NOS1
SCHEMBL9900076 0.72 KLKB1 (0.41) LOXL2TSHRKLKB1OPRM1OPRD1
SCHEMBL27763796 0.71 THRA (0.49) LOXL2ALDH1A1TSHROPRM1OPRD1
SCHEMBL27641824 0.71 CRHBP (0.45) LOXL2ALDH1A1TSHROPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed