SCHEMBL6993098

SCHEMBL6993098

N#Cc1ccc2ccn(CC3CCNC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.60
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A3 Q01959 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HTR3A P46098 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
Hydrochloric Acid SCHEMBL7956777 0.99 KDM1A (0.59) KDM1ASLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL4824315 0.92 KDM1A (0.54) KDM1ASLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL6998824 0.91 KDM1A (0.59) KDM1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL7951984 0.90 KDM1A (0.58) KDM1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL18003252 0.83 ALDH1A1 (0.56) KDM1AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL18003080 0.82 ALDH1A1 (0.61) KDM1AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL4824041 0.82 ALDH1A1 (0.46) KDM1ASLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL3135567 0.76 NPY5R (0.47) KDM1AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7804974 0.76 HTR7 (0.47) KDM1ASLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL31200491 0.76 ALDH1A1 (0.55) KDM1AKDM4EALDH1A1TSHRHSD17B10

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-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 EP disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 EP disclosed