SCHEMBL9247490

SCHEMBL9247490

CN(C)CCOC(=O)C1CCCCN1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13601767 0.95 CHRNB2 (0.41) FKBP1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL13601746 0.95 CHRNB2 (0.41) FKBP1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL13601748 0.87 FKBP1A (0.40) FKBP1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL13601768 0.87 FKBP1A (0.40) FKBP1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL26039280 0.83 FKBP1A (0.43) FKBP1AALDH1A1
SCHEMBL9246142 0.81 FKBP1A (0.42) FKBP1ANPSR1
SCHEMBL9284071 0.81 KMT2A (0.36) FKBP1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12881540 0.81 FKBP1A (0.36) FKBP1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL24846753 0.79 FKBP1A (0.55) FKBP1AALDH1A1POLBSMN1; SMN2
SCHEMBL652160 0.79 FKBP1A (0.55) FKBP1AALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP claimed
US-5225513-A Orthopedic casting MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-07-06 US claimed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP claimed
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP disclosed
EP-0208217-B2 Flocculant organosol in harmony with the environment ROEHM GMBH (DE) 1995-03-15 EP disclosed
US-5225513-A Orthopedic casting MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-07-06 US disclosed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP disclosed