SCHEMBL9293085

SCHEMBL9293085

CCCCCCCCC(C)CCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 3/20 0.42
ALOX15 P16050 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL19732424 0.98 CYP1A2 (0.46) HRH1ALDH1A1CYP1A2CYP2C19HRH3
Hydrochloric Acid SCHEMBL28115936 0.97 ALDH1A1 (0.46) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL3256822 0.87 HRH1 (0.49) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL19185671 0.87 CYP1A2 (0.50) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL20209728 0.86 GRIN2D (0.42) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL19732421 0.86 HRH1 (0.47) HRH1ALDH1A1CYP1A2CYP2C19HRH3
Hydrochloric Acid SCHEMBL28100597 0.85 ALDH1A1 (0.50) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL28848906 0.84 HRH1 (0.54) HRH1ALDH1A1CYP1A2CYP2C19HRH3
SCHEMBL28848888 0.84 HRH1 (0.54) HRH1ALDH1A1CYP1A2CYP2C19HRH3
Bromide SCHEMBL28096107 0.84 GRIN2D (0.41) HRH1ALDH1A1CYP1A2CYP2C19LMNA

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
US-RE34640-E Polymerizing isobutylene, adding monomer to make block polymer; metal halide, initiator and electron pair doner solvent UNIVERSITY OF AKRON (US) 1994-06-14 US disclosed