SCHEMBL7849423

SCHEMBL7849423

CN1CCCC1CCNC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.46
HTR6 P50406 4/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCKBR P32239 2/20 0.41
NMBR P28336 1/20 0.40
MC4R P32245 2/20 0.40
MC1R Q01726 2/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL7848852 0.88 TACR1 (0.49) TACR1MEN1NPC1POLBMAPT
SCHEMBL7847648 0.79 CCKBR (0.53) TACR1MEN1NPC1POLBMAPT
SCHEMBL7067889 0.78 TACR1 (0.56) TACR1NMBR
SCHEMBL7855382 0.78 TACR1 (0.51) TACR1MEN1NPC1POLBMAPT
SCHEMBL7061471 0.78 TACR1 (0.53) TACR1MEN1NPC1POLBMAPT
SCHEMBL13524867 0.78 TACR1 (0.55) TACR1MEN1NPC1POLBMAPT
SCHEMBL7852957 0.77 TACR1 (0.49) TACR1MEN1NPC1POLBMAPT
SCHEMBL13525369 0.77 TACR1 (0.55) TACR1MEN1NPC1POLBMAPT
SCHEMBL7062980 0.77 TACR1 (0.57) TACR1MEN1NPC1POLBMAPT
SCHEMBL7847443 0.76 TACR1 (0.62) TACR1

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed