SCHEMBL28005758

SCHEMBL28005758

C=C(c1cc(C)cc(C)c1)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
KLKB1 P03952 2/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
RBP4 P02753 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
RIPK1 Q13546 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM4A O75164 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL2010567 0.77 KLKB1 (0.43) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL16690901 0.73 RBP4 (0.54) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL3688462 0.72 KDM4C (0.57) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL24310642 0.71 KDM4C (0.52) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL9248509 0.70 LMNA (0.60) KLKB1KDM4CKDM5AKDM5BRBP4
SCHEMBL8176753 0.70 NPC1 (0.54) KLKB1RBP4NPC1RAB9ARIPK1
SCHEMBL1196872 0.70 HPGDS (0.51) HPGDSKDM4CKDM5AKDM5BRBP4
SCHEMBL15964744 0.70 RBP4 (0.54) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL16689551 0.70 RBP4 (0.51) HPGDSKLKB1KDM4CKDM5AKDM5B
SCHEMBL20344493 0.70 RBP4 (0.51) HPGDSKLKB1KDM4CKDM5AKDM5B

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
CN-102753532-B Process for preparation of medetomidine TECH AB I 2015-05-13 CN claimed
CN-102753532-B Process for preparation of medetomidine TECH AB I 2015-05-13 CN disclosed