SCHEMBL11062031

SCHEMBL11062031

C[CH]C1CCCCN1CC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9037911 0.83 LMNA (0.36)
SCHEMBL27541668 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15383931 0.83 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL27491495 0.81 CXCR4 (0.34) ALDH1A1
SCHEMBL11517818 0.81 CHRNB2 (0.37) ALDH1A1
SCHEMBL8860894 0.77 LMNA (0.35)
SCHEMBL9660551 0.76
SCHEMBL1116394 0.76
SCHEMBL2617060 0.76
SCHEMBL14806842 0.75 L3MBTL1 (0.32)

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
US-4440779-A Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO., INC. (US) 1984-04-03 US disclosed
EP-0068460-A1 Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO. INC. (US) 1983-01-05 EP disclosed
US-3956363-A Substituted indenyl acetic acids MERCK & CO., INC. (US) 1976-05-11 US disclosed
US-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 US disclosed
US-3932498-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1976-01-13 US disclosed