SCHEMBL9115555

SCHEMBL9115555

CCC(C)[C@H](N)C(=O)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA2 P00918 1/20 0.54
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KDM4A O75164 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.49
ANPEP P15144 1/20 0.48
EPHX2 P34913 2/20 0.48

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
SCHEMBL9115562 1.00 POLB (0.61) POLBKMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8611963 0.99 POLB (0.59) POLBKMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8611957 0.99 POLB (0.59) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL10448164 0.87 KDM4E (0.54) POLBCA2HTTGAA
SCHEMBL12310885 0.86 KMT2A (0.58) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7806369 0.86 KMT2A (0.58) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7806373 0.86 KMT2A (0.58) POLBKMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8615985 0.85 ANPEP (0.59) POLBANPEP
Hydrochloric Acid SCHEMBL8615979 0.85 ANPEP (0.59) POLBANPEP
Hydrochloric Acid SCHEMBL8617611 0.85 KMT2A (0.56) POLBKMT2ACYP2D6CYP2C9CYP2C19

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
EP-0664789-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE. 1995-09-06 EP disclosed
EP-0664789-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE Merck & Co., Inc. (a New Jersey corp.) (US) 1995-08-02 EP disclosed
WO-1994000419-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-01-06 WO disclosed