SCHEMBL9027015

SCHEMBL9027015

c1ccc2c(c1)CCCN2CCc1c(CC(CCc2cc3ccccc3[nH]2)CCN2CCCc3ccccc32)[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNA7 P36544 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
BCHE P06276 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9026144 0.87 HRH3 (0.46) HRH3HTR2CHTR2BCHRM2CHRM4
SCHEMBL9026137 0.86 HRH3 (0.43) HRH3HTR2CHTR2BCHRM2CHRM4
SCHEMBL9026529 0.82 HRH3 (0.59) HRH3HTR2CCHRNA7HRH4BCHE
SCHEMBL9027181 0.81 KDM4E (0.43) HRH3KMT2AMAPTCHRNA7HRH4
SCHEMBL9027007 0.77 HTR2C (0.48) HTR2CHTR2BCHRM2CHRM4CHRM1
SCHEMBL9223734 0.73 HRH3 (0.44) HRH3HTR2CHTR2BCHRM2CHRM4
SCHEMBL9027042 0.72 HRH3 (0.56) HRH3HTR2CKMT2ACHRNA7HRH4
SCHEMBL9027112 0.69 IDO1 (0.38) HRH3ALDH1A1KDM4EHPGD
SCHEMBL9027395 0.69 MTNR1A (0.39) MEN1KMT2ACHRNA7HPGDTDP1
SCHEMBL9026022 0.69 ACKR3 (0.39) HTR2CSMN1; SMN2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537532-B1 2,2'-Alkylenediindole derivatives, process for their production, medicines containing them and their use as anti-ulcer agents NISSHIN FLOUR MILLING CO (JP) 1996-11-27 EP disclosed
US-5326879-A Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-07-05 US disclosed
EP-0537532-A1 2,2'-Alkylenediindole derivatives, process for their production, medicines containing them and their use as anti-ulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-04-21 EP disclosed