SCHEMBL11357764

SCHEMBL11357764

CN=C(NC#N)NCCN(C)c1nscc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.40
▸ HRH4 Q9H3N8 11/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HRH2 P25021 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HRH3 Q9Y5N1 9/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ ATP4A P20648 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ATP4B P51164 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL11449922 0.80 HRH4 (0.42) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11357095 0.77 HRH4 (0.50) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11357082 0.77 HRH4 (0.50) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11361850 0.76 QPCT (0.41) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11360880 0.75 CYP3A4 (0.43) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11360883 0.75 CYP3A4 (0.43) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11357774 0.75 HRH4 (0.41) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11357763 0.75 HRH4 (0.41) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11356308 0.75 HRH4 (0.46) QPCTHRH4CYP3A4CYP2D6LMNA
SCHEMBL11447149 0.75 HRH4 (0.47) QPCTHRH4CYP3A4CYP2D6LMNA

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-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-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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