SCHEMBL9027007

SCHEMBL9027007

c1ccc2c(c1)CCCN2CCc1c(CCCCc2[nH]c3ccccc3c2CCN2CCCc3ccccc32)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
USP2 O75604 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
BCHE P06276 1/20 0.41
HTR2A P28223 3/20 0.41

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
SCHEMBL9026137 0.90 HRH3 (0.43) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL9027015 0.77 HRH3 (0.39) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL9026523 0.77 HTR2A (0.66) HTR2CALDH1A1KMT2ABCHEHTR2A
SCHEMBL9027173 0.76 HTR1A (0.58) HTR2BKMT2AMAPTHTR2ADRD2
SCHEMBL9027033 0.75 HTR2A (0.65) HTR2CALDH1A1KMT2ABCHEHTR2A
SCHEMBL734498 0.74 HTR2C (0.73) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL736020 0.74 OPRM1 (0.41) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL7951597 0.72 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL734234 0.72 OPRL1 (0.43) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL20148244 0.71 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRM2CHRM4

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