SCHEMBL16129899

SCHEMBL16129899

CC1CCN(C(=O)c2cc3n(n2)CCN(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ENPP2 Q13822 6/20 0.38
▸ TACR1 P25103 6/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ATXN2 Q99700 2/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ STS P08842 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ RHOC P08134 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ LIPE Q05469 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
SCHEMBL16129896 0.92 ENPP2 (0.37) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16129850 0.91 SCN9A (0.38) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16129758 0.90 SMN1; SMN2 (0.43) SMN1; SMN2ENPP2TACR1NPC1RAB9A
Hydrochloric Acid SCHEMBL16100508 0.90 SCN9A (0.37) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16129893 0.90 TACR1 (0.39) HPGDSMN1; SMN2ENPP2TACR1MEN1
SCHEMBL16129760 0.90 TACR1 (0.38) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16129885 0.89 TACR1 (0.38) HPGDENPP2TACR1MEN1NPC1
SCHEMBL16129897 0.88 TACR1 (0.47) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16129891 0.88 ENPP2 (0.39) ENPP2TACR1MEN1NPC1RAB9A
SCHEMBL16094142 0.87 ENPP2 (0.37) HPGDENPP2TACR1MEN1NPC1

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
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
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