SCHEMBL9728463

SCHEMBL9728463

CCCCN1CC=C(c2nc(N)sc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 3/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL9728514 0.82 HTR6 (0.36) HTR6SIGMAR1
SCHEMBL9727860 0.80 SIGMAR1 (0.41) SIGMAR1
SCHEMBL10698637 0.76 HTR6 (0.40) HTR6SIGMAR1
SCHEMBL9728716 0.72 CHRM2 (0.41) SIGMAR1
SCHEMBL10698534 0.71 HTR6 (0.39) HTR6SIGMAR1
SCHEMBL11938943 0.71 SIGMAR1 (0.65) HTR6SIGMAR1
SCHEMBL9728112 0.69 RAD52 (0.43)
SCHEMBL10697120 0.68 KDM4E (0.42)
Hydrochloric Acid SCHEMBL9870487 0.68 SIGMAR1 (0.57) SIGMAR1
SCHEMBL7270081 0.68 SIGMAR1 (0.51) SIGMAR1

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-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed