SCHEMBL6934985

SCHEMBL6934985

CC(C)N(C(=O)CC(C#N)c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 4/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LMNA P02545 3/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2R P25116 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8096598 0.89 EPHX1 (0.41) KCNA5KMT2AMEN1ALDH1A1AKR1C3
SCHEMBL11568787 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1AKR1C3AKR1C1
SCHEMBL1343883 0.78 FFAR1 (0.51) KMT2ATSHRCYP2C19FFAR1
SCHEMBL27862777 0.78 FFAR1 (0.51) KMT2ATSHRCYP2C19FFAR1
SCHEMBL9556420 0.78 FFAR1 (0.51) KMT2ATSHRCYP2C19FFAR1
SCHEMBL1582847 0.77 TRPM8 (0.49) KCNA5KMT2AMEN1LMNAKDM4E
SCHEMBL9983066 0.76 KCNA5 (0.48) KCNA5KMT2AMEN1ALDH1A1LMNA
SCHEMBL988882 0.75 TSHR (0.48) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31326025 0.75 TSHR (0.53) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL3055864 0.75 TSHR (0.44) KMT2AMEN1ALDH1A1AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed