SCHEMBL9756593

SCHEMBL9756593

CCCC(N)(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
TAAR1 Q96RJ0 2/20 0.43
KIF11 P52732 6/20 0.40
SLC6A2 P23975 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 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
Ammonia Solution, Strong SCHEMBL7144895 0.98 KCNN4 (0.45) KCNN4TAAR1KIF11SLC6A2CYP1A2
SCHEMBL847003 0.86 KIF11 (0.44) KCNN4TAAR1KIF11
SCHEMBL28193226 0.85 SCN5A (0.42) KCNN4TAAR1KIF11
SCHEMBL157809 0.83 KCNN4 (0.48) KCNN4TAAR1KIF11SLC6A2CYP1A2
SCHEMBL29288489 0.83 SCN5A (0.44) KCNN4KIF11
SCHEMBL28306597 0.83 SCN5A (0.44) KCNN4KIF11
SCHEMBL28340947 0.83 SCN5A (0.44) KCNN4KIF11
SCHEMBL28338666 0.83 SCN5A (0.44) KCNN4KIF11
SCHEMBL8170446 0.82 MEN1 (0.38) KCNN4CYP1A2
Bromide SCHEMBL10687152 0.81 KCNN4 (0.46) KCNN4TAAR1KIF11SLC6A2CYP1A2

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
US-4230798-A ANIMAL-ORIGINATED URICASE MILES LABORATORIES, INC. (US) 1980-10-28 US claimed
CN-114621098-B Method for preparing diamine compound by olefin ammonification 中国科学院大连化学物理研究所 2023-06-13 CN disclosed
WO-1991012004-A1 TOPICAL USE OF 6-N-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID DERIVATIVES ALLERGAN, INC. (US) 1991-08-22 WO disclosed
US-4230798-A ANIMAL-ORIGINATED URICASE MILES LABORATORIES, INC. (US) 1980-10-28 US disclosed