SCHEMBL9530000

SCHEMBL9530000

C(=C\c1ccccc1)\CN1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.58
▸ HIF1A Q16665 4/20 0.58
▸ CYP2D6 P10635 4/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ SIGMAR1 Q99720 3/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ CHRM2 P08172 2/20 0.58
▸ CHRM4 P08173 2/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ CHRM5 P08912 2/20 0.58
▸ ADRA2A P08913 2/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ CHRM1 P11229 2/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ ADRA2B P18089 2/20 0.58

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
SCHEMBL6596304 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL1151821 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL1151817 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
Hydrochloric Acid SCHEMBL3842618 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
Hydrochloric Acid SCHEMBL3842615 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
Fluoride SCHEMBL27904711 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL9123051 0.94 LTA4H (0.59) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL11661323 0.94 LTA4H (0.59) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL27901883 0.90 LMNA (0.51) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL27901884 0.90 LMNA (0.51) LMNAHIF1ACYP2D6MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269755-B1 DIBENZ b,e]OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON PHARMACEUTICAL CO (JP) 1993-11-18 — — EP disclosed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 — — US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 — — EP disclosed
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