SCHEMBL6178030

SCHEMBL6178030

C[CH]OC(CCCC)OC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
SMPD1 P17405 3/20 0.31

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
SCHEMBL6179890 0.93 SMPD1 (0.38) DNM1SMPD1
SCHEMBL6179279 0.86
SCHEMBL6181616 0.80 TSHR (0.31) TSHRSMN1; SMN2DNM1SMPD1
SCHEMBL7297339 0.80 TSHR (0.40) CA1CA2TSHRSMN1; SMN2DNM1
SCHEMBL611894 0.80
SCHEMBL6177172 0.78 TSHR (0.30) TSHRSMN1; SMN2DNM1
SCHEMBL6176438 0.78 TSHR (0.30) TSHRSMN1; SMN2DNM1
SCHEMBL6176443 0.78 DNM1 (0.31) CA1CA2TSHRSMN1; SMN2DNM1
SCHEMBL5708974 0.75 DNM1 (0.38) CA1CA2TSHRSMN1; SMN2DNM1
SCHEMBL5361 0.75

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