SCHEMBL6978884

SCHEMBL6978884

C[C@@H]([C]=O)N(C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.41
ADH1C P00326 4/20 0.41
ADH1B P00325 1/20 0.41
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FDPS P14324 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LIPE Q05469 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
SCHEMBL3957146 0.80 ADH1A (0.42) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL14397102 0.74 ADH1A (0.48) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL105488 0.74 ADH1A (0.48) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL13503180 0.74 ADH1A (0.48) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL8299579 0.72 ADH1C (0.40) ADH1AADH1CADH1BALDH1A1KDM4E
SCHEMBL7862759 0.72 ADH1B (0.36) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL104779 0.71 ADH1A (0.44) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL9949553 0.70 ADH1C (0.40) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL22271013 0.70 ADH1A (0.40) ADH1AADH1CADH1BTSHRALDH1A1
SCHEMBL20615275 0.70 ADH1A (0.40) ADH1AADH1CADH1BTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed