SCHEMBL1907436

SCHEMBL1907436

CCC1CC1c1ccc(F)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2B P41595 5/20 0.53
HTR2A P28223 4/20 0.53
SLC9A1 P19634 1/20 0.46
KDM1A O60341 6/20 0.44
KCNH2 Q12809 2/20 0.44
KDM1B Q8NB78 2/20 0.44
SLC6A4 P31645 3/20 0.40
ABCC9 O60706 6/20 0.39
KCNJ11 Q14654 6/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ8 Q15842 1/20 0.38

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
SCHEMBL22334917 0.87 KDM1A (0.60) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL23993624 0.84 HTR2A (0.67) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL20202736 0.84 HTR2A (0.67) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL23995530 0.80 HTR2A (0.49) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL23995528 0.78 HTR2C (0.47) HTR2CHTR2BHTR2AKDM1ASLC6A4
SCHEMBL22335111 0.78 HTR2C (0.46) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL23993627 0.77 HTR2A (0.49) HTR2CHTR2BHTR2AKDM1ASLC6A4
SCHEMBL21503512 0.74 HTR2C (0.66) HTR2CHTR2BHTR2AKDM1ASLC6A4
SCHEMBL22334928 0.74 HTR2C (0.66) HTR2CHTR2BHTR2AKDM1AKCNH2
SCHEMBL16590511 0.74 HTR2C (0.66) HTR2CHTR2BHTR2AKDM1ASLC6A4

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-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed