SCHEMBL7149063

SCHEMBL7149063

CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
FPR2 P25090 2/20 0.43
EPHX2 P34913 6/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ELOVL6 Q9H5J4 1/20 0.41
ELOVL3 Q9HB03 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY1 P47900 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
SCHEMBL6256002 0.75 HDAC6 (0.40) FPR2MEN1KMT2A
SCHEMBL6184335 0.74 NMBR (0.64)
SCHEMBL7149060 0.73 NMBR (0.57) FPR2
SCHEMBL14863635 0.71 L3MBTL1 (0.46) MEN1RAB9AKMT2A
SCHEMBL14863636 0.71 L3MBTL1 (0.46) MEN1RAB9AKMT2A
SCHEMBL6180760 0.70 NPC1 (0.47) RAB9AKMT2A
SCHEMBL12377252 0.68 EPHX2 (0.70) TRPV1FPR2EPHX2MEN1MAPT
SCHEMBL6993237 0.67 MME (0.46) EPHX2MEN1KMT2A
SCHEMBL6254877 0.67 MME (0.46) EPHX2MEN1KMT2A
SCHEMBL8308465 0.66 EPHX2 (0.62) FPR2EPHX2MEN1MAPTHTT

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-1343498-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS Warner-Lambert Company LLC (US) 2003-09-17 EP disclosed
WO-2002049644-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO disclosed