SCHEMBL10422980

SCHEMBL10422980

COc1ccc(CCCNC(=O)CCN)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL10421319 0.84 CYP4A11 (0.57) POLBL3MBTL1KMT2A
SCHEMBL8577834 0.82 POLB (0.63) POLBALDH1A1KMT2A
SCHEMBL10422361 0.82 L3MBTL1 (0.63) ALDH1A1L3MBTL1
SCHEMBL23417615 0.82 POLB (0.77) POLBALDH1A1KMT2A
SCHEMBL30971354 0.82 POLB (0.60) POLBALDH1A1KMT2A
SCHEMBL10627917 0.82 L3MBTL1 (0.83) L3MBTL1
SCHEMBL10893730 0.81 POLB (0.71) POLBALDH1A1
SCHEMBL28742538 0.81 POLB (0.86) POLBKMT2A
SCHEMBL10421956 0.81 L3MBTL1 (0.61) L3MBTL1
SCHEMBL27446239 0.80 SMN1; SMN2 (0.81) POLB

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-4933325-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE & CO. (US) 1990-06-12 US disclosed
US-4880829-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE AND COMPANY (US) 1989-11-14 US disclosed
US-4847241-A ANALGESICS G. D. SEARLE & CO. (US) 1989-07-11 US disclosed
US-4822775-A ANALGESICS G. D. SEARLE & CO. (US) 1989-04-18 US disclosed
EP-0215297-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-25 EP disclosed