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SCHEMBL7965779

SCHEMBL7965779

CSc1ccccc1OC(O)CCN1CCC(OC(=O)CCC(=O)OC2(c3cncc4ccccc34)CCN(CCC(O)Oc3ccccc3SC)CC2)(c2cncc3ccccc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ ADRA1A P35348 2/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ CYP11B1 P15538 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
SCHEMBL7953266 0.78 CCR5 (0.34) ITGA4ITGB7DRD3CCR5HTR1A
SCHEMBL7965345 0.73 SLC6A1 (0.34) DRD3CCR5DRD2DRD4
SCHEMBL7961725 0.72 DRD3 (0.32) DRD3CCR5
SCHEMBL7965995 0.71 — —
SCHEMBL7968938 0.70 OPRL1 (0.38) ITGA4ITGB7DRD3HTR1ADRD2
SCHEMBL7965454 0.70 OPRL1 (0.36) DRD3HTR1A
Succinic Acid SCHEMBL7965777 0.70 ABCB1 (0.48) HTR1ADRD2DRD4
SCHEMBL8139378 0.69 SLC6A1 (0.34) DRD3CCR5HTR1AADRA1AADRA1B
SCHEMBL7963100 0.69 SLC6A1 (0.34) DRD3CCR5HTR1AADRA1AADRA1B
SCHEMBL7965744 0.69 HTR1A (0.36) DRD3HTR1AHTR7DRD2DRD4

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 — — US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 — — EP disclosed