SCHEMBL6178129

SCHEMBL6178129

[CH2]C(OCCCCCC)OCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
TSHR P16473 3/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 5/20 0.39
LPAR3 Q9UBY5 5/20 0.39
LPAR2 Q9HBW0 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL6179383 0.97 DNM1 (0.48) DNM1TSHRTHRBMEN1HTT
SCHEMBL27471804 0.95 DNM1 (0.48) DNM1TSHRTHRBMEN1HTT
SCHEMBL27822061 0.93 DNM1 (0.47) DNM1TSHRTHRBMEN1HTT
SCHEMBL10586750 0.93 DNM1 (0.47) DNM1TSHRTHRBMEN1HTT
SCHEMBL27475653 0.92 DNM1 (0.45) DNM1TSHRTHRBHTTLPAR1
SCHEMBL1527700 0.89 ADRB2 (0.41) DNM1TSHRTHRB
SCHEMBL27508527 0.87 DNM1 (0.42) DNM1TSHRHTTLPAR1LPAR3
SCHEMBL28873662 0.86 ADRB2 (0.39) DNM1TSHRTHRB
SCHEMBL27469429 0.84 DNM1 (0.39) DNM1HTTLPAR1LPAR3LPAR2
SCHEMBL27492913 0.84 DNM1 (0.44) DNM1TSHRTHRBLPAR1LPAR3

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 5 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
US-4097491-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1978-06-27 US disclosed