SCHEMBL28850337

SCHEMBL28850337

CC(C)(CCCCN)c1ccccc1.Nc1cccc2c(N)cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
KIF11 P52732 11/20 0.43
CYP3A4 P08684 3/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KEAP1 Q14145 1/20 0.36
NSD2 O96028 4/20 0.36

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
SCHEMBL858707 0.87 TAAR1 (0.59) TAAR1KIF11CYP3A4KCNH2CYP2D6
SCHEMBL475887 0.77 CNR2 (0.44) TAAR1KIF11KCNH2CNR1CNR2
SCHEMBL27946554 0.75 TAAR1 (0.56) TAAR1KIF11CYP3A4CYP2C19ALDH1A1
SCHEMBL5147319 0.73 TAAR1 (0.67) TAAR1KIF11CYP3A4KCNH2CYP2D6
SCHEMBL10961754 0.72 KIF11 (0.55) TAAR1KIF11CYP3A4KCNH2CYP2D6
SCHEMBL20082368 0.70 CNR1 (0.48) TAAR1KIF11CYP3A4KCNH2CYP2D6
Putrescine SCHEMBL28179389 0.70 ALDH1A1 (0.74) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL475888 0.70 KIF11 (0.42) TAAR1KIF11CYP3A4KCNH2CYP2D6
SCHEMBL399240 0.70 CNR2 (0.54) TAAR1CNR1CNR2
SCHEMBL9453768 0.70 CNR2 (0.54) TAAR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141370-A Polyimide, metal-clad laminate, and circuit board 日铁化学材料株式会社 2022-10-04 CN disclosed