SCHEMBL6181616

SCHEMBL6181616

C[CH]OC(CCCC)OCC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNM1 Q05193 2/20 0.31
THRB P10828 1/20 0.31
SMPD1 P17405 3/20 0.31
OPRM1 P35372 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
SCHEMBL6178976 0.94 OPRM1 (0.38) DNM1SMPD1OPRM1
SCHEMBL6179070 0.86 THRB (0.33) THRB
SCHEMBL6176443 0.85 DNM1 (0.31) TSHRSMN1; SMN2DNM1
SCHEMBL6176438 0.85 TSHR (0.30) TSHRSMN1; SMN2DNM1
SCHEMBL6178528 0.82 CTSK (0.30)
SCHEMBL1760675 0.81 THRB (0.40) TSHRSMN1; SMN2DNM1THRBSMPD1
SCHEMBL6178030 0.80 CA1 (0.32) TSHRSMN1; SMN2DNM1SMPD1
SCHEMBL6182623 0.79 SMPD1 (0.36) DNM1SMPD1OPRM1
SCHEMBL6177304 0.79 SMPD1 (0.36) DNM1SMPD1OPRM1
SCHEMBL28834174 0.79 THRB (0.38) TSHRSMN1; SMN2DNM1THRBSMPD1

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