SCHEMBL8776022

SCHEMBL8776022

CN1CCN(c2nc3ccccc3n2C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.62

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
SCHEMBL14685202 0.87 HSD11B1 (0.60) HSD11B1
SCHEMBL14685207 0.87 HSD11B1 (0.60) HSD11B1
SCHEMBL4940460 0.86 HSD11B1 (0.58) HSD11B1
SCHEMBL2709699 0.83 HTR3A (0.63) HSD11B1
SCHEMBL7427136 0.82 HSD11B1 (0.56) HSD11B1
Hydrochloric Acid SCHEMBL29689100 0.81 HTR3A (0.62) HSD11B1
SCHEMBL4428154 0.81 HSD11B1 (0.58) HSD11B1
SCHEMBL6551438 0.81 HSD11B1 (0.51) HSD11B1
SCHEMBL7166739 0.81
SCHEMBL7166738 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079545-A1 Benzimidazole derivatives, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1983-05-25 EP claimed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-0641784-B1 BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME KANEBO LTD (JP) 1997-11-19 EP disclosed
US-5407936-A For vomiting due to chemotherapy with cisplatin KANEBO LTD. (JP) 1995-04-18 US disclosed
EP-0641784-A1 BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME KANEBO, LTD. (JP) 1995-03-08 EP disclosed
EP-0079545-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KANEBO, LTD. (JP) 1986-05-21 EP disclosed
US-4430343-A ANTIHISTAMINES KANEBO, LTD. (JP) 1984-02-07 US disclosed
EP-0079545-A1 Benzimidazole derivatives, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1983-05-25 EP disclosed