SCHEMBL11367403

SCHEMBL11367403

CN=C(NC#N)NCCCSc1nc(C)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.46
HRH3 Q9Y5N1 5/20 0.45
HRH2 P25021 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
SLC22A2 O15244 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ATP4A P20648 1/20 0.43
APEX1 P27695 1/20 0.43
PDE4A P27815 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
ATP4B P51164 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43

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
SCHEMBL11365569 0.80 HRH4 (0.47) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11367402 0.79 HRH4 (0.38) HRH4HRH3HRH2QPCTBCHE
SCHEMBL11374563 0.79 HRH4 (0.38) HRH4HRH3HRH2QPCTBCHE
SCHEMBL11356850 0.74 HRH4 (0.51) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11312950 0.73 HRH2 (0.36) HRH4HRH3HRH2LMNATSHR
SCHEMBL11362054 0.71 HRH4 (0.47) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11351785 0.71 HRH4 (0.51) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11351788 0.71 HRH4 (0.51) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11354279 0.71 HRH4 (0.50) HRH4HRH3HRH2CYP3A4CYP2D6
SCHEMBL11365118 0.70 QPCT (0.45) HRH4HRH3HRH2CYP3A4CYP2D6

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