SCHEMBL7456624

SCHEMBL7456624

CC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ NPY4R P50391 3/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY2R P49146 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ KISS1R Q969F8 9/20 0.52
▸ BACE1 P56817 1/20 0.51

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
SCHEMBL7456632 1.00 TFPI (0.56) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29993768 0.96 NPY4R (0.55) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29993329 0.96 NPY4R (0.55) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29398068 0.93 NPY4R (0.53) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30571144 0.92 TFPI (0.62) TFPIKISS1RBACE1
SCHEMBL11247622 0.92 NPY4R (0.59) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30887551 0.92 TFPI (0.45) TFPINPY4RNPY1RNPY2RNPY5R
Acetic Acid SCHEMBL11118747 0.90 NPY4R (0.58) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL9551261 0.90 BACE1 (0.55) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30880856 0.90 TFPI (0.67) TFPINPY4RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065398-A1 Genetically engineered immunoglobulins for use as tools in human therapeutics CENTRO DE INMUNOLOGIA MOLECULAR (CU) 2002-05-30 — — US disclosed
US-5891996-A WITH NON-HUMAN VARIABLE REGIONS AND HUMAN CONSTANT REGIONS; LESS IMMUNOGENIC WITH IMPROVED EFFECTOR FUNCTIONS; ANTITUMOR AGENTS; FOR DIAGNOSITIC IMAGING AND MONITORING CENTRO DE INMUNOLOGIA MOLECULAR (CU) 1999-04-06 — — US disclosed
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