SCHEMBL7413801

SCHEMBL7413801

CC(=O)N1CCCc2cc(NC(=O)C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 4/20 0.56
TP53 P04637 5/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
NOTUM Q6P988 4/20 0.52
PKM P14618 1/20 0.51
THRB P10828 1/20 0.48
NR3C1 P04150 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL8805666 0.85 KDM4E (0.52) LMNAMAPTALDH1A1TP53RAB9A
SCHEMBL6841370 0.85 CREBBP (0.50) LMNAMAPTALDH1A1TP53RAB9A
SCHEMBL9389498 0.85 KCNH2 (0.52) LMNAMAPTALDH1A1TP53RAB9A
SCHEMBL24011079 0.78 NOTUM (0.84) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL11682254 0.77 SMN1; SMN2 (0.70) LMNAMAPTALDH1A1TP53RAB9A
SCHEMBL24011118 0.77 LMNA (0.71) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL6984459 0.76 FPR1 (0.44) LMNAALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL3767593 0.76 SMN1; SMN2 (0.72) LMNAMAPTALDH1A1TP53RAB9A
SCHEMBL24011069 0.76 NOTUM (0.82) LMNAALDH1A1TP53NOTUMPDK1
SCHEMBL3102790 0.76 NOTUM (0.62) LMNAMAPTALDH1A1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed