SCHEMBL9828857

SCHEMBL9828857

NC(=NCCCc1c[nH]cn1)NCCN(Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.37
SSTR4 P31391 4/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SSTR2 P30874 2/20 0.33

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
SCHEMBL9771136 0.94 HRH4 (0.37) HRH4HRH3
Hydrochloric Acid SCHEMBL10368540 0.92 GBA1 (0.40) GBA1SSTR4HRH4HRH3SSTR2
Hydrochloric Acid SCHEMBL10369610 0.85 HRH4 (0.41) GBA1SSTR4HRH4HRH3
SCHEMBL9828418 0.85 SSTR4 (0.42) SSTR4SSTR2
SCHEMBL10374977 0.84 GBA1 (0.36) GBA1HRH4HRH3
Hydrochloric Acid SCHEMBL10369460 0.83 GBA1 (0.39) GBA1SSTR4HRH4HRH3
Hydrochloric Acid SCHEMBL10369553 0.83 HRH4 (0.38) GBA1HRH4HRH3
SCHEMBL7288384 0.81 SCN5A (0.34) HRH4
SCHEMBL9828331 0.81 MTNR1A (0.38)
SCHEMBL9867126 0.80 HRH4 (0.47) HRH4HRH3

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-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 EP claimed