SCHEMBL8103798

SCHEMBL8103798

Cc1ccc(C)c(CN2CCC[C@H](C(=O)NC(C)(Cc3ccc(C#N)cc3)c3cnc[nH]3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.37
ACKR3 P25106 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD4 P21917 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
ERG P11308 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
SCHEMBL8088441 0.87 ALDH1A1 (0.43) NPSR1HTTKMT2AALDH1A1MEN1
SCHEMBL8095399 0.87 CYP3A4 (0.44) L3MBTL1HTTKMT2AALDH1A1MEN1
SCHEMBL8098292 0.86 ATM (0.38) NPSR1HTTKMT2AALDH1A1MEN1
SCHEMBL8095905 0.84 GSK3B (0.38) L3MBTL1NPSR1TSHRCYP2C9GPBAR1
SCHEMBL8088938 0.84 KDM4E (0.46) L3MBTL1TSHRHTTACKR3KMT2A
SCHEMBL8097852 0.84 KDM4E (0.46) L3MBTL1TSHRHTTACKR3KMT2A
SCHEMBL8088210 0.84 TSHR (0.40) TSHRHTTACKR3KMT2AMEN1
SCHEMBL8095367 0.83 KDM4E (0.45) ACKR3KMT2AALDH1A1MEN1KDM4E
SCHEMBL8095353 0.83 KMT2A (0.48) ACKR3KMT2AMEN1SMN1; SMN2
SCHEMBL8095891 0.83 SMN1; SMN2 (0.39) L3MBTL1NPSR1TSHRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed