SCHEMBL7841384

SCHEMBL7841384

Cc1cccc(CC2(C(N)=O)CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.50
SSTR1 P30872 2/20 0.45
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
POLB P06746 2/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AMPD2 Q01433 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38

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
Hydrochloric Acid SCHEMBL7831467 0.99 SSTR4 (0.49) SSTR4SSTR1GABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL7832311 0.83 SSTR4 (0.50) SSTR4SSTR1GABRDGABRA1GABRB1
SCHEMBL8347656 0.82 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL8350781 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL4314996 0.80 CA1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13540024 0.78 MAOA (0.46) SSTR4GABRDGABRA1GABRB1GABRA5
SCHEMBL4825172 0.78 SSTR4 (0.44) SSTR4SSTR1GABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL20137865 0.77 SSTR4 (0.43) SSTR4SSTR1GABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL29971297 0.77 SSTR4 (0.43) SSTR4SSTR1GABRDGABRA1GABRB1
SCHEMBL7839369 0.76 SSTR4 (0.49) SSTR4SSTR1GABRDGABRA1GABRB1

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-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed