SCHEMBL13634186

SCHEMBL13634186

C[C@H]1CC[C@@H](NC(=O)c2ccccc2N)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
TAS1R2 Q8TE23 2/20 0.57
CNR2 P34972 6/20 0.56
CNR1 P21554 5/20 0.56
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CRBN Q96SW2 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL22720137 1.00 RAB9A (0.59) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL2060435 0.92 CRBN (0.56) RAB9ANPC1KDM4EALDH1A1CRBN
Water SCHEMBL28110279 0.90 CRBN (0.55) RAB9ANPC1KDM4EALDH1A1CRBN
SCHEMBL2771765 0.86 CRBN (0.51) RAB9ANPC1KDM4EALDH1A1CRBN
SCHEMBL2771766 0.86 CRBN (0.51) RAB9ANPC1KDM4EALDH1A1CRBN
SCHEMBL28510668 0.86 CRBN (0.51) RAB9ANPC1KDM4EALDH1A1CRBN
SCHEMBL4960760 0.86 NPC1 (0.53) RAB9ANPC1KDM4EALDH1A1CRBN
SCHEMBL22720116 0.85 ALDH1A1 (0.66) RAB9ANPC1CNR2CNR1KDM4E
SCHEMBL13161898 0.85 ALDH1A1 (0.61) RAB9ANPC1CNR2CNR1KDM4E
SCHEMBL29229446 0.84 ALDH1A1 (0.69) RAB9ANPC1CNR2CNR1KDM4E

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed