SCHEMBL11364403

SCHEMBL11364403

CN/C(=N/CCCNCc1cccnn1)NC#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ QPCT Q16769 5/20 0.35
▸ HRH2 P25021 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ VNN1 O95497 1/20 0.32

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
SCHEMBL11364405 1.00 HRH4 (0.37) HRH4HTR1AHTR1DQPCTHRH2
SCHEMBL11363963 0.93 HRH4 (0.34) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11363957 0.93 HRH4 (0.34) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11360038 0.83 BCHE (0.36) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11360040 0.83 BCHE (0.36) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11357766 0.82 HRH4 (0.41) HRH4HRH2CYP3A4CYP2D6CYP2C9
SCHEMBL11357772 0.82 HRH4 (0.41) HRH4HRH2CYP3A4CYP2D6CYP2C9
SCHEMBL11353919 0.81 CYP3A4 (0.36) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11353913 0.81 CYP3A4 (0.36) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11357773 0.81 MEN1 (0.36) HRH4HRH2CYP3A4CYP2D6CYP2C9

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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