SCHEMBL6983348

SCHEMBL6983348

COc1ccc(C(=O)N2CCN(CC3(C)CC4=C(C)OC(C)=C(C)C4=C3N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.46
DRD3 P35462 10/20 0.46
LSS P48449 1/20 0.43
KCNA5 P22460 2/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6984706 0.90 ALDH1A1 (0.40) KCNA5HPGDPOLBALDH1A1
SCHEMBL6978721 0.89 MEN1 (0.48) DRD2DRD3HPGDCA12CA1
SCHEMBL6984892 0.89 KDM4E (0.45) DRD2DRD3LSSKCNA5CA12
SCHEMBL6982088 0.88 ALDH1A1 (0.48) POLBALDH1A1TSHR
SCHEMBL8579639 0.88 DRD3 (0.40) DRD2DRD3HPGDALDH1A1
SCHEMBL6976776 0.86 CA12 (0.44) HPGDCA12CA1CA2CA7
SCHEMBL6981795 0.83 POLB (0.47) DRD3CA12CA1CA2CA7
SCHEMBL6983252 0.75 CACNA1B (0.36) DRD3
SCHEMBL6974103 0.74 NPC1 (0.48) DRD3POLBALDH1A1TSHR
SCHEMBL6983343 0.70 DRD2 (0.46) DRD2DRD3LSSKCNA5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed