SCHEMBL6177787

SCHEMBL6177787

CCCCC[N]C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.35
TRPM8 Q7Z2W7 10/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DNM1 Q05193 1/20 0.31
LMNA P02545 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
SCHEMBL6176135 0.97 TSHR (0.40) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL270258 0.92
SCHEMBL9212803 0.82 OPRM1 (0.44) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL270791 0.80
SCHEMBL9209437 0.80 OPRM1 (0.42) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL9205665 0.80 OPRM1 (0.42) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL9203784 0.80 OPRM1 (0.42) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL9205449 0.80 DNM1 (0.44) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL9213454 0.80 NAAA (0.34) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL6175599 0.78

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed