SCHEMBL7380895

SCHEMBL7380895

C[C@@]1(C(=O)OC(=O)CCSC(=O)c2ccccc2)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GPR139 Q6DWJ6 1/20 0.33
CHRM1 P11229 1/20 0.32
OPRM1 P35372 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32

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
SCHEMBL5889023 0.72
SCHEMBL7340132 0.71 ACE (0.32) OPRM1
SCHEMBL18243806 0.70 AKT1 (0.50) KMT2AGPR139TSHR
SCHEMBL7379917 0.70 KMT2A (0.42) KMT2ACYP3A4TSHRPRSS1CTSG
SCHEMBL7373953 0.70 KMT2A (0.42) KMT2ACYP3A4TSHRPRSS1CTSG
SCHEMBL11228481 0.70 MAPT (0.32)
SCHEMBL19023356 0.69 DDB1 (0.49)
SCHEMBL19023358 0.69 DDB1 (0.49)
SCHEMBL18243769 0.68 KMT2A (0.46) KMT2AGPR139TSHRGAA
SCHEMBL7342749 0.68 CTSK (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed