SCHEMBL10620893

SCHEMBL10620893

Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccc3c1N2CC3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.50
▸ DRD2 P14416 11/20 0.47
▸ DRD4 P21917 5/20 0.47
▸ DRD1 P21728 8/20 0.46
▸ NFKB1 P19838 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ADRA2A P08913 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ PKN1 Q16512 1/20 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
SCHEMBL10675874 0.93 HRH4 (0.48) HRH4DRD2DRD4DRD1NFKB1
SCHEMBL10685254 0.91 HRH4 (0.53) HRH4DRD2DRD4DRD1NFKB1
SCHEMBL10623674 0.88 HRH4 (0.38) HRH4DRD2DRD4DRD1NFKB1
SCHEMBL10623807 0.88 DRD2 (0.47) HRH4DRD2DRD4DRD1MAPK1
SCHEMBL10620843 0.88 DRD2 (0.64) HRH4DRD2DRD4DRD1NFKB1
SCHEMBL10621494 0.88 MAPK1 (0.58) HRH4DRD2DRD4DRD1MAPK1
SCHEMBL10620991 0.86 HRH4 (0.56) HRH4DRD2DRD4DRD1MAPK1
SCHEMBL10625646 0.86 DRD2 (0.45) HRH4DRD2DRD4DRD1MAPK1
SCHEMBL10621464 0.86 CHRM1 (0.55) HRH4DRD2DRD4DRD1MAPK1
SCHEMBL10623491 0.85 DRD2 (0.46) HRH4DRD2DRD4DRD1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761412-A Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the treatment of psychoses HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-02 — — US claimed
US-4663453-A Benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepines having dopamine receptor activity HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-05-05 — — US claimed
US-4764616-A ANALGESIC, ANTIPHYCHOTIC HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-16 — — US disclosed
US-4761412-A Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the treatment of psychoses HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-02 — — US disclosed
US-4761411-A Dihydrobenzopyrrolobenzodiazepines useful for treating pyschoses HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-02 — — US disclosed
US-4723003-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-02-02 — — US disclosed
US-4723007-A ANALGESICS, ANTIPSYCHOTIC AGENTS; INTERMEDIATES FOR PROCESSING HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-02-02 — — US disclosed
US-4663453-A Benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepines having dopamine receptor activity HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-05-05 — — US disclosed
EP-0129692-A2 Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-01-02 — — EP disclosed
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