SCHEMBL21062002

SCHEMBL21062002

CCO[C@]1(C)CC[C@@H](C(=O)NN)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
CHRM1 P11229 1/20 0.32
KMT2A Q03164 1/20 0.30
ABL1 P00519 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
SCHEMBL21062003 1.00 RAB9A (0.34) RAB9ACHRM1KMT2AABL1
SCHEMBL21062057 0.82 RAB9A (0.31) RAB9A
SCHEMBL21061388 0.81 HSD17B10 (0.30)
SCHEMBL21061950 0.81 HSD17B10 (0.30)
SCHEMBL21061900 0.80
SCHEMBL28451183 0.76 MAPT (0.46) KMT2A
SCHEMBL21061743 0.73
SCHEMBL25230436 0.72 ALOX15 (0.33)
SCHEMBL2349815 0.72 RAB9A (0.37) RAB9AKMT2AABL1
SCHEMBL2343826 0.72 RAB9A (0.37) RAB9AKMT2AABL1

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
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed