SCHEMBL9841044

SCHEMBL9841044

O=C(OCc1ccccc1)[C@@H]1CCCN1NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.62
CTRB1 P17538 1/20 0.45
PREP P48147 2/20 0.45

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
SCHEMBL8199558 0.85 FKBP1A (0.63) FKBP1A
SCHEMBL28304505 0.84 FKBP1A (0.48) FKBP1A
SCHEMBL10905597 0.84 FKBP1A (0.48) FKBP1A
SCHEMBL10452175 0.80 FKBP1A (0.46) FKBP1APREP
SCHEMBL1706517 0.80 FKBP1A (0.58) FKBP1APREP
SCHEMBL2679494 0.80 FKBP1A (0.58) FKBP1APREP
SCHEMBL8773327 0.80 FKBP1A (0.58) FKBP1APREP
Hydrochloric Acid SCHEMBL1784260 0.79 FKBP1A (0.57) FKBP1APREP
SCHEMBL11443635 0.79 FKBP1A (0.67) FKBP1APREP
SCHEMBL13099455 0.79 FKBP1A (0.60) FKBP1APREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed