SCHEMBL7329321

SCHEMBL7329321

NC1CC2C[C@H]1c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.57
KDM1B Q8NB78 2/20 0.57
MAOB P27338 8/20 0.48
MAOA P21397 7/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2B6 P20813 3/20 0.48
HTR2C P28335 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL7329314 1.00 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL5341308 1.00 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL5704636 1.00 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL14284253 1.00 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
Hydrochloric Acid SCHEMBL11695201 0.98 KDM1A (0.59) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL5070767 0.83 KDM1A (0.48) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL30608698 0.78 KDM1A (0.39) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL18544377 0.74 CHRNB4 (0.43) KDM1AKDM1BMAOBMAOAHTR2C
SCHEMBL7094448 0.73 HTR2C (0.58) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL7864324 0.73 HTR2C (0.58) KDM1AKDM1BMAOBMAOACYP2C19

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
US-5089506-A Antipsychotic agents, anticonvulsants G. D. SEARLE & CO. (US) 1992-02-18 US disclosed
EP-0455195-A2 Ethanobicyclic amine derivatives for CNS disorders G.D. Searle & Co. (US) 1991-11-06 EP disclosed