SCHEMBL9532038

SCHEMBL9532038

CC(CCCN1CCCCC1)CCOc1ccc(SCl)c(SCl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 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
SCHEMBL9528149 0.83 KDM4E (0.62) HRH3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2528505 0.82 KDM4E (0.61) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL9527128 0.79 MEN1 (0.77) HRH3MEN1KMT2AALDH1A1PSMB1
SCHEMBL9528301 0.79 HRH3 (0.68) HRH3MEN1KMT2AALDH1A1PSMB1
SCHEMBL9529137 0.79 HRH3 (0.63) HRH3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9528262 0.78 KMT2A (0.75) HRH3MEN1KMT2AALDH1A1PSMB1
Hydrochloric Acid SCHEMBL9528330 0.78 HRH3 (0.67) HRH3MEN1KMT2AALDH1A1PSMB1
SCHEMBL9530966 0.77 HRH3 (0.76) HRH3KDM4EPSMB1PSMB5
Hydrochloric Acid SCHEMBL9527233 0.76 HRH3 (0.74) HRH3KDM4EPSMB1PSMB5
SCHEMBL9527518 0.76 LTA4H (0.61) HRH3MEN1KMT2APSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542846-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed