SCHEMBL9462114

SCHEMBL9462114

CCCCCCCCCCCCN1CCN(CC(N)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KCNH2 Q12809 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL9462405 1.00 PKM (0.51) PKMCHRM3KDM4ELMNAKCNH2
SCHEMBL9462088 1.00 PKM (0.51) PKMCHRM3KDM4ELMNAKCNH2
SCHEMBL9462420 1.00 PKM (0.51) PKMCHRM3KDM4ELMNAKCNH2
SCHEMBL9292726 1.00 PKM (0.51) PKMCHRM3KDM4ELMNAKCNH2
SCHEMBL2110500 0.81 GAA (0.65) CHRM3KDM4ELMNAKCNH2ALDH1A1
SCHEMBL18539303 0.81 GAA (0.65) CHRM3KDM4ELMNAKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4154192 0.80 GAA (0.63) CHRM3KDM4ELMNAKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4668030 0.80 GAA (0.63) CHRM3KDM4ELMNAKCNH2ALDH1A1
SCHEMBL9292241 0.77 CHRM3 (0.67) PKMCHRM3KCNH2DRD3
SCHEMBL15800706 0.76 CCR3 (0.70) KDM4ELMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182284-A Antiasthmatic agent, antiallergen, antiinflammatory agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-01-26 — — US disclosed
EP-0465659-A1 PIPERAZINE COMPOUND, PRODUCTION THEREOF, AND MEDICINAL USE THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-15 — — EP disclosed
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