SCHEMBL11364278

SCHEMBL11364278

CNC(=NC#N)NCCSCc1[nH]cnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HRH2 P25021 3/20 0.46
▸ SLC47A1 Q96FL8 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATP4A P20648 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ATP4B P51164 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC47A2 Q86VL8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46

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
Cimetidine SCHEMBL11283011 0.85 HRH2 (0.48) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL15316685 0.85 HRH2 (0.48) SMN1; SMN2LMNAHRH2SLC47A1MEN1
SCHEMBL11364247 0.85 HRH2 (0.66) SMN1; SMN2LMNAHRH2SLC47A1MEN1
SCHEMBL11364264 0.85 HRH2 (0.66) SMN1; SMN2LMNAHRH2SLC47A1MEN1
SCHEMBL11357012 0.82 CYP3A4 (0.45) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL10855575 0.81 SLC47A1 (0.69) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL2873981 0.81 SLC47A1 (0.69) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL1163516 0.81 SLC47A1 (0.69) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL10855569 0.81 SLC47A1 (0.69) SMN1; SMN2LMNAHRH2SLC47A1MEN1
Cimetidine SCHEMBL10859058 0.81 SLC47A1 (0.69) SMN1; SMN2LMNAHRH2SLC47A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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