SCHEMBL6769067

SCHEMBL6769067

CC(C)(C)C1CC(c2cccc(N)c2)=CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
MAOA P21397 2/20 0.35
PBRM1 Q86U86 1/20 0.34
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
PTPN1 P18031 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL10475874 0.76 GRM1 (0.35) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4150760 0.70 RBP4 (0.38) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL3993976 0.69 ALDH1A1 (0.51) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL3503856 0.69 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL4462828 0.69 ADORA2A (0.36) DRD2
SCHEMBL3988457 0.68 PDK4 (0.56)
SCHEMBL3985447 0.67 RIPK1 (0.39)
SCHEMBL6829492 0.66 F2 (0.35) MCL1MAOASMN1; SMN2
SCHEMBL28752853 0.66 DRD2 (0.37) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL23721776 0.65 AKR1C3 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed