SCHEMBL8097919

SCHEMBL8097919

CC(c1ccccc1)N1CCC[C@H](C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.42
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR5 P51681 2/20 0.36
GPBAR1 Q8TDU6 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERG P11308 2/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OGA O60502 1/20 0.34
ACKR3 P25106 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8098228 0.93 ALOX12 (0.41) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL8097934 0.88 KMT2A (0.46) ALOX12CCR5CYP19A1
SCHEMBL446561 0.88 ALOX12 (0.40) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL8095919 0.87 ALOX12 (0.40) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL8104356 0.87 CCR5 (0.39) ALOX12CCR5GPBAR1L3MBTL1ERG
SCHEMBL8097933 0.86 GPBAR1 (0.42) CCR5GPBAR1ERGCYP2C9GAA
SCHEMBL8095399 0.85 CYP3A4 (0.44) L3MBTL1CYP2C9
SCHEMBL8095905 0.85 GSK3B (0.38) ALOX12GPBAR1L3MBTL1ERGTSHR
SCHEMBL8088397 0.84 GAA (0.39) ALOX12GPBAR1L3MBTL1ERGGAA
SCHEMBL8095471 0.84 ATM (0.39) ALOX12CCR5CYP19A1

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 8 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
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed