SCHEMBL25513152

SCHEMBL25513152

CNC1CCNCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
KCNH2 Q12809 1/20 0.32
EPHX1 P07099 1/20 0.30

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
SCHEMBL24273783 0.78 KCNH2 (0.31) KCNH2
SCHEMBL17125419 0.74 ALPL (0.41) KCNH2
SCHEMBL129977 0.71
SCHEMBL6165879 0.71 ALPL (0.33)
SCHEMBL16748090 0.70
Hydrochloric Acid SCHEMBL5161351 0.69 EPHX1 (0.44) KDM1AMAOAKCNH2EPHX1
Hydrochloric Acid SCHEMBL6627700 0.69
Ammonia Solution, Strong SCHEMBL29030880 0.69 EPHX1 (0.44) KDM1AMAOAKCNH2EPHX1
SCHEMBL28964667 0.69
Hydrochloric Acid SCHEMBL31716940 0.69 EPHX2 (0.32)

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
WO-2023089612-A1 PERIPHERAL CB1 RECEPTOR ANTAGONISTS FOR TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-05-25 WO disclosed