SCHEMBL29923478

SCHEMBL29923478

CC[N+](CC)(CC)Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
HTR2A P28223 1/20 0.39
CHRNA7 P36544 1/20 0.39
CYP2A6 P11509 1/20 0.38
IDO1 P14902 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PYCR1 P32322 2/20 0.36
LMNA P02545 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
Bromide SCHEMBL17180522 0.98 TAAR1 (0.39) TAAR1HTR2ACHRNA7CYP2A6IDO1
SCHEMBL14948384 0.90 TAAR1 (0.38) TAAR1HTR2ACHRNA7KDM4EALDH1A1
SCHEMBL4795994 0.87 TSHR (0.41) CHRNA7KDM4EALDH1A1CYP1A2LMNA
Hydrochloric Acid SCHEMBL4803008 0.85 KDM4E (0.44) CHRNA7KDM4EALDH1A1CYP1A2
SCHEMBL15504886 0.80 TP53 (0.43) TAAR1CYP2A6IDO1ALDH1A1LMNA
SCHEMBL12404659 0.78 IDO1 (0.44) TAAR1CYP2A6IDO1ALDH1A1CYP1A2
SCHEMBL18459215 0.76 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL27524844 0.76 KCNH2 (0.50) TAAR1HTR2ACYP2A6IDO1KDM4E
Water SCHEMBL9858178 0.76 IDO1 (0.42) TAAR1CYP2A6IDO1ALDH1A1CYP1A2
Hydrogen Sulfide SCHEMBL5998579 0.75 KDM4E (0.54) CHRNA7KDM4EALDH1A1CYP1A2

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-4059973-B1 EPOXY RESIN COMPOSITIONS AND METHODS FOR PREPARING THEM ADITYA BIRLA CHEMICALS THAILAND LTD ADVANCED MAT (TH) 2026-01-07 EP disclosed
EP-4059973-A1 EPOXY RESIN COMPOSITIONS AND METHODS FOR PREPARING THEM Aditya Birla Chemicals (Thailand) Ltd. (Advanced Materials) (TH) 2022-09-21 EP disclosed