SCHEMBL7973853

SCHEMBL7973853

CN(C)CCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.62
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
MAOA P21397 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADORA2A P29274 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
KMT2A Q03164 3/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL14960116 0.92 KAT2B (0.59) KAT2BSMN1; SMN2CHRM2CHRM1DRD2
SCHEMBL29504306 0.91 ALDH1A1 (0.65) KAT2BSMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL972656 0.91 ALDH1A1 (0.65) KAT2BSMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL7170020 0.85 KAT2B (0.81) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL6200169 0.85 KAT2B (0.81) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL11720943 0.84 KAT2B (0.61) KAT2BSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL8720672 0.84 KAT2B (0.78) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL6198359 0.84 KAT2B (0.78) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL981345 0.83 KAT2B (0.71) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5922386 0.83 KAT2B (0.71) KAT2BSMN1; SMN2KMT2AALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed
US-4059584-A ANTIINFLAMMATORY PFIZER (US) 1977-11-22 US disclosed
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4002623-A Anti-inflammatory 1-[3-(dialkylamino)propyl]-2-acylaminobenzimidazoles and 2-acylamino-3-[3-(dialkylamino)-propyl]imidazo[4,5-b]pyridines PFIZER INC. (US) 1977-01-11 US disclosed