SCHEMBL7218775

SCHEMBL7218775

CC[C@H](COC)n1nnc2c(Cl)nc(C)cc21

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.58

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
SCHEMBL7218772 1.00 CRHR1 (0.58) CRHR1
SCHEMBL7216722 0.89 CRHR1 (0.54) CRHR1
SCHEMBL7217257 0.89 CRHR1 (0.54) CRHR1
SCHEMBL7217253 0.89 CRHR1 (0.54) CRHR1
SCHEMBL7629851 0.81 CRHR1 (0.44) CRHR1
SCHEMBL7218557 0.76 CRHR1 (0.40) CRHR1
SCHEMBL7227483 0.75 CRHR1 (0.74) CRHR1
SCHEMBL7227480 0.75 CRHR1 (0.74) CRHR1
SCHEMBL7217467 0.75 CRHR1 (0.86) CRHR1
SCHEMBL7217464 0.75 CRHR1 (0.86) CRHR1

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
US-6525056-B2 A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed