SCHEMBL9768637

SCHEMBL9768637

CC(c1ccccc1)(c1ccccc1)C(N)CN

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.50
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KIF11 P52732 3/20 0.40
HTR2A P28223 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1619121 0.83 TAAR1 (0.50) TAAR1MAPK1KDM4ELMNAKIF11
SCHEMBL4403164 0.83 TAAR1 (0.45) TAAR1MAPK1KDM4ELMNAKIF11
Hydrochloric Acid SCHEMBL7066884 0.81 TAAR1 (0.48) TAAR1MAPK1KDM4ELMNAKIF11
SCHEMBL11466486 0.81 TAAR1 (0.43) TAAR1MAPK1KDM4ELMNAKIF11
SCHEMBL938787 0.77 TAAR1 (0.43) TAAR1MAPK1KDM4ELMNAKIF11
SCHEMBL1955810 0.77 TAAR1 (0.46) TAAR1MAPK1KIF11MAPTKMT2A
SCHEMBL28789568 0.76 TAAR1 (0.48) TAAR1MAPK1KDM4ELMNAKIF11
Bromide SCHEMBL14334475 0.76 TAAR1 (0.41) TAAR1MAPK1KDM4ELMNAKIF11
Water SCHEMBL11434440 0.75 KIF11 (0.39) TAAR1MAPK1KDM4ELMNAKIF11
Hydrochloric Acid SCHEMBL11126141 0.75 KIF11 (0.39) TAAR1MAPK1KDM4ELMNAKIF11

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
CN-117529329-A Compositions and methods for treating respiratory distress S.I.S舒洛夫创新科学有限公司 2024-02-06 CN disclosed
US-5021187-A In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-06-04 US disclosed