SCHEMBL7444874

SCHEMBL7444874

CCC(CCc1ccc(F)cc1)NC1Cc2cc3[nH]cc(C(=O)C(=O)N(CC)CC)c3cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
HAT1 O14929 11/20 0.38
EP300 Q09472 11/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 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
SCHEMBL7444866 0.79 HTR1A (0.41) MAPK14
SCHEMBL5360018 0.67 MAPK14 (0.84) MAPK14
SCHEMBL24243785 0.65 HTR2A (0.50)
SCHEMBL21133895 0.64 MAPK14 (0.79) MAPK14
SCHEMBL14357719 0.63 MAPK14 (0.61) MAPK14
SCHEMBL30053780 0.62 PRKAB2 (0.38) SMN1; SMN2
SCHEMBL14357846 0.62 MAPK14 (0.49) MAPK14SMN1; SMN2
SCHEMBL5176526 0.62 ALDH1A1 (0.46)
SCHEMBL24243751 0.61 KDM4E (0.50)
SCHEMBL31579426 0.60 HTR6 (0.46)

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
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed