SCHEMBL3164644

SCHEMBL3164644

CCC(Oc1cc[c]cc1)N(CC)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10374748 0.86
SCHEMBL3170651 0.83
SCHEMBL2224162 0.79 PGR (0.30)
SCHEMBL1284721 0.78 TDP1 (0.44)
SCHEMBL12130668 0.77 PGR (0.42)
SCHEMBL386596 0.74 ACACB (0.35)
SCHEMBL12130516 0.74 LTB4R (0.36)
SCHEMBL10371922 0.73
SCHEMBL9988719 0.72 ACACB (0.37)
SCHEMBL533652 0.72 ACACB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP disclosed