SCHEMBL6583159

SCHEMBL6583159

CCOC(C)n1c(CN2CCNCC2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6586473 0.96 HIF1A (0.49) HIF1AMEN1KMT2AKDM4ETSHR
SCHEMBL18306578 0.85 POLB (0.51) HIF1AMEN1KMT2AKDM4EGRM2
SCHEMBL8313269 0.81 HTR3A (0.53)
SCHEMBL6962681 0.77 POLB (0.47) MEN1KMT2AKDM4EL3MBTL1POLB
SCHEMBL8315846 0.77 HTR3A (0.49)
SCHEMBL6585574 0.76 GRM2 (0.67) KDM4EGRM2POLBALDH1A1
SCHEMBL7481715 0.75 GRM2 (0.65) KDM4EGRM2POLBALDH1A1
SCHEMBL6151147 0.74 MEN1 (0.58) MEN1KMT2AKDM4EUSP2L3MBTL1
SCHEMBL9257050 0.73 TSHR (0.50) KMT2AKDM4EL3MBTL1POLBTSHR
SCHEMBL6583086 0.72 GRM2 (0.61) KDM4EGRM2POLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed