SCHEMBL28290545

SCHEMBL28290545

NCCNCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
MC4R P32245 2/20 0.58
MC5R P33032 2/20 0.58
HDAC1 Q13547 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
CHRM2 P08172 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MC3R P41968 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL18823346 0.88 CHRM2 (0.59) SMN1; SMN2MC4RMC5RHDAC1MAOA
SCHEMBL167415 0.87 MEN1 (0.73) MC4RMC5RMEN1KMT2ATDP1
SCHEMBL16812954 0.87 SMN1; SMN2 (0.75) SMN1; SMN2MEN1KMT2ATDP1MAOA
SCHEMBL10045136 0.86 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ATDP1MAOA
Ammonia Solution, Strong SCHEMBL20357468 0.85 MEN1 (0.70) MC4RMC5RHDAC1MEN1KMT2A
Hydrochloric Acid SCHEMBL10382368 0.85 MEN1 (0.70) MC4RMC5RHDAC1MEN1KMT2A
SCHEMBL9631654 0.85 MEN1 (0.70) MC4RMC5RHDAC1MEN1KMT2A
SCHEMBL13521675 0.85 MC4R (0.61) SMN1; SMN2MC4RMC5RMEN1KMT2A
SCHEMBL4909407 0.83 TDP1 (0.74) SMN1; SMN2MC4RMC5RMEN1KMT2A
SCHEMBL4916283 0.83 TDP1 (0.74) SMN1; SMN2MC4RMC5RMEN1KMT2A

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-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN disclosed