SCHEMBL11047479

SCHEMBL11047479

O=c1[nH]c2ccccc2n1CCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.61
CYP2D6 P10635 1/20 0.60
SLC6A4 P31645 1/20 0.58
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57

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
SCHEMBL11038162 0.93 ADRA1D (0.68) ADRA1DSLC6A4
SCHEMBL11037320 0.93 ADRA1D (0.67) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL11037928 0.92 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11038647 0.92 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11037991 0.92 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11007868 0.89 ADRA1D (0.61) ADRA1DCYP2D6SLC6A4HTR2AHTR7
SCHEMBL14306777 0.85 ADRA1D (0.80) ADRA1DCYP2D6SLC6A4
SCHEMBL464522 0.85 ADRA1D (0.65) ADRA1DSLC6A4
SCHEMBL14775605 0.85 ADRA1D (0.64) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL7649530 0.84 ADRA1D (0.65) ADRA1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058975-B1 SUBSTITUTED N-(4-INDOLYL-PIPERIDINO-ALKYL) BENZIMIDAZOLONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1984-12-12 EP disclosed
US-4359468-A ALSO USEFUL AS HYPOTENSIVE AGE NTS BOEHRINGER INGELHEIM LTD. (US) 1982-11-16 US disclosed