SCHEMBL27697487

SCHEMBL27697487

Cc1cc(Br)cnc1N1CCN(C(=O)O)[C@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM3 P20309 2/20 0.43
LIMK2 P53671 5/20 0.42
TRPV1 Q8NER1 1/20 0.39
OPRK1 P41145 1/20 0.39
AVPR1A P37288 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL4770269 0.84 GPR119 (0.47) CHRM1CHRM2CHRM4CHRM3LIMK2
SCHEMBL4916694 0.84 GPR119 (0.47) CHRM1CHRM2CHRM4CHRM3LIMK2
SCHEMBL25267836 0.83 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM3LIMK2
SCHEMBL22322284 0.83 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM3LIMK2
SCHEMBL18145739 0.80 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3GRM1
SCHEMBL18149351 0.77 GRM1 (0.50) CHRM4GRM1
SCHEMBL21808506 0.77 GRM1 (0.50) CHRM4GRM1
SCHEMBL25186802 0.76 TRPV1 (0.47) LIMK2TRPV1
SCHEMBL25264481 0.76 TRPV1 (0.47) LIMK2TRPV1
SCHEMBL20135249 0.74 AGTR2 (0.37) CHRM1CHRM2CHRM4CHRM3OPRK1

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
CN-101080228-A Piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-11-28 CN disclosed